2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid

C18H23N3O6 — CID 67827713

IUPAC2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)OCc1ccccc1)C(=O)C1CCCN1
InChIInChI=1S/C18H23N3O6/c1-12(17(24)25)21(16(23)14-8-5-9-19-14)15(22)10-20-18(26)27-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,19H,5,8-11H2,1H3,(H,20,26)(H,24,25)
InChIKeySXGCYLCCMSPKNW-UHFFFAOYSA-N
MW377.40 g/mol
LogP0.49
Rot. Bonds7

About 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid

2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 67827713) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID67827713
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Name2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CNC(=O)OCc1ccccc1)C(=O)C1CCCN1
InChIInChI=1S/C18H23N3O6/c1-12(17(24)25)21(16(23)14-8-5-9-19-14)15(22)10-20-18(26)27-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,19H,5,8-11H2,1H3,(H,20,26)(H,24,25)
InChIKeySXGCYLCCMSPKNW-UHFFFAOYSA-N
XLogP0.49
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic 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

benzyl N-[3-chloro-2,4-dioxo-4-[(2R)-pyrrolidin-2-yl]butyl]carbamate
CID 57024973
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
(2R)-4-methyl-2-[(2-oxo-2-pyrrolidin-2-ylacetyl)-[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 70070844
(2R)-4-methyl-2-[(2-oxo-2-pyrrolidin-2-ylacetyl)-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 70070845
benzyl N-[2-hydroxy-4-methyl-1-oxo-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
CID 154362840
2-[[6-amino-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]hexanoyl]amino]acetic acid
CID 70492813
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 54088548
ethyl 1-amino-2-(2-aminopropanoyl)-3-[2-(phenylmethoxycarbonylamino)acetyl]-2-(pyrrolidine-2-carbonyl)cyclopentane-1-carboxylate
CID 67827623
benzyl (3S)-2-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 54550045
benzyl 3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 174989409
[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl] (2S)-pyrrolidine-2-carboxylate
CID 135315135

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid (CID 67827713) is 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)CNC(=O)OCc1ccccc1)C(=O)C1CCCN1.
What is the InChIKey of 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is SXGCYLCCMSPKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-12(17(24)25)21(16(23)14-8-5-9-19-14)15(22)10-20-18(26)27-11-13-6-3-2-4-7-13/h2-4,6-7,12,14,19H,5,8-11H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid?
2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 377.40 g/mol, XLogP of 0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 67827713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).