(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

C15H20N4O3 — CID 14654694

IUPAC(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C15H20N4O3/c16-12(20)9-18-15(22)13(10-5-2-1-3-6-10)19-14(21)11-7-4-8-17-11/h1-3,5-6,11,13,17H,4,7-9H2,(H2,16,20)(H,18,22)(H,19,21)/t11-,13-/m0/s1
InChIKeyOHRIFHPVTUDFDC-AAEUAGOBSA-N
MW304.35 g/mol
LogP-0.80
Rot. Bonds6

About (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide

(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide (PubChem CID 14654694) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
PubChem CID14654694
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide
SMILESNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)c1ccccc1
InChIInChI=1S/C15H20N4O3/c16-12(20)9-18-15(22)13(10-5-2-1-3-6-10)19-14(21)11-7-4-8-17-11/h1-3,5-6,11,13,17H,4,7-9H2,(H2,16,20)(H,18,22)(H,19,21)/t11-,13-/m0/s1
InChIKeyOHRIFHPVTUDFDC-AAEUAGOBSA-N
XLogP-0.80
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2R)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 51387302
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)(15N)amino]-4-methyl-1-oxo(113C)pentan-2-yl]pyrrolidine-2-carboxamide
CID 10266003
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
CID 23318222
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 171324514
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide (CID 14654694) is (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide is NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide?
The InChIKey is OHRIFHPVTUDFDC-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N4O3/c16-12(20)9-18-15(22)13(10-5-2-1-3-6-10)19-14(21)11-7-4-8-17-11/h1-3,5-6,11,13,17H,4,7-9H2,(H2,16,20)(H,18,22)(H,19,21)/t11-,13-/m0/s1.
What are the key properties of (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of -0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 14654694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).