methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate

C15H20N2O3 — CID 61163138

IUPACmethyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3/t12-,13?/m0/s1
InChIKeyAPKLHPGBTJFCPW-UEWDXFNNSA-N
MW276.34 g/mol
LogP0.72
Rot. Bonds4

About methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate

methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate (PubChem CID 61163138) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
PubChem CID61163138
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3/t12-,13?/m0/s1
InChIKeyAPKLHPGBTJFCPW-UEWDXFNNSA-N
XLogP0.72
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate 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 (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
2-[[1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18223326
methyl (2S)-1-[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]pyrrolidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 131715717
methyl (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxylate
CID 139928671
benzyl (2R)-1-[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 58726225
benzyl (2S)-1-[(2R)-2-amino-3-fluoropropanoyl]pyrrolidine-2-carboxylate
CID 54502157
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 71548717
benzyl (2R)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 162304517
methyl (2S)-2-[[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 167596044
(4S)-4-amino-2-benzyl-5-oxo-5-[(2S)-2-phenylmethoxycarbonylpyrrolidin-1-yl]pentanoic acid
CID 18642142

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate (CID 61163138) is methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate?
The InChIKey is APKLHPGBTJFCPW-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)13-8-5-9-17(13)14(18)12(16)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16H2,1H3/t12-,13?/m0/s1.
What are the key properties of methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate?
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 61163138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).