3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide

C9H17N3O3 — CID 134570387

IUPAC3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESNCC(O)C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C9H17N3O3/c10-5-7(13)9(15)12-6-3-1-2-4-11-8(6)14/h6-7,13H,1-5,10H2,(H,11,14)(H,12,15)/t6-,7?/m1/s1
InChIKeyDMKBGWPRCGONQG-ULUSZKPHSA-N
MW215.25 g/mol
LogP-1.91
Rot. Bonds3

About 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide

3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide (PubChem CID 134570387) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
PubChem CID134570387
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
SMILESNCC(O)C(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C9H17N3O3/c10-5-7(13)9(15)12-6-3-1-2-4-11-8(6)14/h6-7,13H,1-5,10H2,(H,11,14)(H,12,15)/t6-,7?/m1/s1
InChIKeyDMKBGWPRCGONQG-ULUSZKPHSA-N
XLogP-1.91
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(2-oxoazepan-3-yl)pentanamide
CID 107471324
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
CID 115447574
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
(2R)-2-(2-ethoxyethoxy)-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 94646376
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide (CID 134570387) is 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide is NCC(O)C(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide?
The InChIKey is DMKBGWPRCGONQG-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-5-7(13)9(15)12-6-3-1-2-4-11-8(6)14/h6-7,13H,1-5,10H2,(H,11,14)(H,12,15)/t6-,7?/m1/s1.
What are the key properties of 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide?
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide has a molecular weight of 215.25 g/mol, XLogP of -1.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide is sourced from PubChem (CID 134570387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).