2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid

C15H20N2O5 — CID 132565423

IUPAC2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)N1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H20N2O5/c18-14(19)9-16(10-15(20)21)17-8-4-7-13(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyOLJWXTMJOQKEHA-ZDUSSCGKSA-N
MW308.33 g/mol
LogP1.01
Rot. Bonds8

About 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid

2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid (PubChem CID 132565423) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid
PubChem CID132565423
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)N1CCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C15H20N2O5/c18-14(19)9-16(10-15(20)21)17-8-4-7-13(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)(H,20,21)/t13-/m0/s1
InChIKeyOLJWXTMJOQKEHA-ZDUSSCGKSA-N
XLogP1.01
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
CID 132839013
butyl (2R)-2-phenylmethoxypyrrolidine-1-carboxylate
CID 150470163
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
N-cyclohexylcyclohexanamine;2-[phenylmethoxycarbonyl-(2-phenylmethoxycarbonylpyrrolidin-1-yl)amino]acetic acid
CID 173104774
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66563946
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
benzyl 4-hydroxy-2-methylazepane-1-carboxylate
CID 118230323
(3R)-3-[carboxymethyl(phenylmethoxycarbonyl)amino]pyrrolidine-1-carboxylic acid
CID 140554013

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid (CID 132565423) is 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid is O=C(O)CN(CC(=O)O)N1CCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid?
The InChIKey is OLJWXTMJOQKEHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-14(19)9-16(10-15(20)21)17-8-4-7-13(17)22-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,19)(H,20,21)/t13-/m0/s1.
What are the key properties of 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid?
2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid has a molecular weight of 308.33 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[(2S)-2-phenylmethoxypyrrolidin-1-yl]amino]acetic acid is sourced from PubChem (CID 132565423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).