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

C15H21N3O2 — CID 61180000

IUPAC(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H21N3O2/c16-12(10-11-6-2-1-3-7-11)14(19)18-13-8-4-5-9-17-15(13)20/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19)/t12-,13?/m0/s1
InChIKeyBGRUKOGVNLDRPP-UEWDXFNNSA-N
MW275.35 g/mol
LogP0.34
Rot. Bonds4

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

(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide (PubChem CID 61180000) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
PubChem CID61180000
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C15H21N3O2/c16-12(10-11-6-2-1-3-7-11)14(19)18-13-8-4-5-9-17-15(13)20/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19)/t12-,13?/m0/s1
InChIKeyBGRUKOGVNLDRPP-UEWDXFNNSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.34
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-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
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-[(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-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
(3S)-3,5,5-trimethyl-N-[(2R)-1-oxo-1-[[(3R)-2-oxoazepan-3-yl]amino]-3-phenylpropan-2-yl]hexanamide
CID 7362282
(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
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
(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
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide (CID 61180000) is (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NC1CCCCNC1=O.
What is the InChIKey of (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide?
The InChIKey is BGRUKOGVNLDRPP-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-12(10-11-6-2-1-3-7-11)14(19)18-13-8-4-5-9-17-15(13)20/h1-3,6-7,12-13H,4-5,8-10,16H2,(H,17,20)(H,18,19)/t12-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 0.34, 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-oxoazepan-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 61180000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).