(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide

C14H19N3O2 — CID 78986436

IUPAC(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H19N3O2/c15-11(9-10-5-2-1-3-6-10)13(18)17-12-7-4-8-16-14(12)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,16,19)(H,17,18)/t11-,12?/m0/s1
InChIKeyUAKFRSMTPWMBAZ-PXYINDEMSA-N
MW261.32 g/mol
LogP-0.05
Rot. Bonds4

About (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide

(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide (PubChem CID 78986436) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
PubChem CID78986436
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCNC1=O
InChIInChI=1S/C14H19N3O2/c15-11(9-10-5-2-1-3-6-10)13(18)17-12-7-4-8-16-14(12)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,16,19)(H,17,18)/t11-,12?/m0/s1
InChIKeyUAKFRSMTPWMBAZ-PXYINDEMSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
acetic acid;(2S)-2-amino-N-[(3S,9R)-3-benzyl-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]-3-(4-hydroxyphenyl)propanamide
CID 73353231
(2S)-2-amino-N-[(3S,6R,12R)-3-benzyl-2,5,11-trioxo-1,4,10-triazabicyclo[10.3.0]pentadecan-6-yl]-3-(4-hydroxyphenyl)propanamide
CID 10815848
(2S)-2-amino-N-[(3S,6R,12S,18S,21R,27S)-21-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3,18-dibenzyl-2,5,11,17,20,26-hexaoxo-1,4,10,16,19,25-hexazatricyclo[25.3.0.012,16]triacontan-6-yl]-3-(4-hydroxyphenyl)propanamide
CID 10581932
(2S)-2-amino-N-[(3R,6S,9R)-3-benzyl-6-(1H-indol-3-ylmethyl)-2,5,8-trioxo-1,4,7-triazacyclododec-9-yl]-3-(4-hydroxyphenyl)propanamide
CID 72704163
(2S,5S,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-benzyl-3,8,14-trioxo-1,4,9-triazacyclotetradecane-5-carboxamide
CID 15088037
(2S)-2-amino-N-[(3R,6S,12R)-6-benzyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclohexadec-12-yl]-3-(4-hydroxyphenyl)propanamide
CID 73350251
(2S)-2-[methyl-[(E)-3-phenylprop-2-enoyl]amino]-N-[(3S)-2-oxopiperidin-3-yl]-3-phenylpropanamide
CID 25112289
(2S)-2-amino-N-(2,5-dioxoimidazolidin-4-yl)-3-phenylpropanamide
CID 66914825
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide (CID 78986436) is (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CCCNC1=O.
What is the InChIKey of (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide?
The InChIKey is UAKFRSMTPWMBAZ-PXYINDEMSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11(9-10-5-2-1-3-6-10)13(18)17-12-7-4-8-16-14(12)19/h1-3,5-6,11-12H,4,7-9,15H2,(H,16,19)(H,17,18)/t11-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide has a molecular weight of 261.32 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 78986436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).