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

C11H21N3O2 — CID 107568483

IUPAC(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H21N3O2/c1-2-5-8(12)10(15)14-9-6-3-4-7-13-11(9)16/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyDTYMXMUPPKIMRP-IENPIDJESA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds4

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

(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide (PubChem CID 107568483) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
PubChem CID107568483
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
SMILESCCC[C@H](N)C(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H21N3O2/c1-2-5-8(12)10(15)14-9-6-3-4-7-13-11(9)16/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1
InChIKeyDTYMXMUPPKIMRP-IENPIDJESA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810
(2R)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 164662315
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide (CID 107568483) is (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide is CCC[C@H](N)C(=O)NC1CCCCNC1=O.
What is the InChIKey of (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide?
The InChIKey is DTYMXMUPPKIMRP-IENPIDJESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-2-5-8(12)10(15)14-9-6-3-4-7-13-11(9)16/h8-9H,2-7,12H2,1H3,(H,13,16)(H,14,15)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide?
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 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)pentanamide is sourced from PubChem (CID 107568483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).