General Information of the Compound
Compound ID
CP0138020
Compound Name
2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
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Structure
Formula
C7H12N2O3
Molecular Weight
172.184
Canonical SMILES
OC(=O)CNC(=O)[C@@H]1CCCN1
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InChI
InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
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InChIKey
RNKSNIBMTUYWSH-YFKPBYRVSA-N
Physicochemical Property
logP
-1.0608
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 7408076
SID: 15487081
ChEMBL ID
CHEMBL59426
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02659, Peptidyl-glycine alpha-amidating monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000506 DMS 53 Homo sapiens (Human)  1
1
Km = 980000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 880000 nM