(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

C21H26ClN3O2 — CID 119307509

IUPAC(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15(23-21(26)19(22)14-16-6-3-2-4-7-16)17-9-11-18(12-10-17)24-13-5-8-20(24)25;/h2-4,6-7,9-12,15,19H,5,8,13-14,22H2,1H3,(H,23,26);1H/t15?,19-;/m0./s1
InChIKeyUHOFWWJBJUNOGQ-VYBJUCHJSA-N
MW387.91 g/mol
LogP2.98
Rot. Bonds6

About (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119307509) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119307509
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(N2CCCC2=O)cc1.Cl
InChIInChI=1S/C21H25N3O2.ClH/c1-15(23-21(26)19(22)14-16-6-3-2-4-7-16)17-9-11-18(12-10-17)24-13-5-8-20(24)25;/h2-4,6-7,9-12,15,19H,5,8,13-14,22H2,1H3,(H,23,26);1H/t15?,19-;/m0./s1
InChIKeyUHOFWWJBJUNOGQ-VYBJUCHJSA-N
XLogP2.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307520
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
(2S)-2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3-phenylpropanamide;hydrochloride
CID 119298734
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
2-(cyclopropylmethylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride (CID 119307509) is (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is CC(NC(=O)[C@@H](N)Cc1ccccc1)c1ccc(N2CCCC2=O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is UHOFWWJBJUNOGQ-VYBJUCHJSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c1-15(23-21(26)19(22)14-16-6-3-2-4-7-16)17-9-11-18(12-10-17)24-13-5-8-20(24)25;/h2-4,6-7,9-12,15,19H,5,8,13-14,22H2,1H3,(H,23,26);1H/t15?,19-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119307509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).