[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid

C9H15N3O4 — CID 141083733

IUPAC[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid
SMILESCNC(=O)N1CCCC[C@@H](NC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-10-8(14)12-5-3-2-4-6(7(12)13)11-9(15)16/h6,11H,2-5H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1
InChIKeyZUTIBVDHQFEVSF-ZCFIWIBFSA-N
MW229.24 g/mol
LogP-0.03
Rot. Bonds1

About [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid

[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid (PubChem CID 141083733) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid
PubChem CID141083733
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid
SMILESCNC(=O)N1CCCC[C@@H](NC(=O)O)C1=O
InChIInChI=1S/C9H15N3O4/c1-10-8(14)12-5-3-2-4-6(7(12)13)11-9(15)16/h6,11H,2-5H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1
InChIKeyZUTIBVDHQFEVSF-ZCFIWIBFSA-N
XLogP-0.03
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclohexyl-3-formamido-2-oxoazepane-1-carboxamide
CID 87870030
tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 91311843
(1-hydroxypiperidin-2-yl)carbamic acid
CID 175120532
(3S)-3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-N-methyl-2-oxoazepane-1-carboxamide
CID 10480006
tert-butyl N-[(3S)-1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 90883687
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
tert-butyl N-[(3S)-1-(dimethylcarbamoyl)-2-oxoazepan-3-yl]carbamate
CID 21101908
ethyl (3S)-3-formamido-2-oxoazepane-1-carboxylate
CID 87870068
3-cyclohexyl-N-methyl-2-oxoimidazolidine-1-carboxamide
CID 89467865
3-hydroxy-N-(1-hydroxy-2-oxoazepan-3-yl)-2-methylpropanamide
CID 20698682
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
[1-[[methyl(methylcarbamoyl)sulfamoyl]carbamoyl]-2-oxoazetidin-3-yl]carbamic acid
CID 57168498

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid (CID 141083733) is [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid is CNC(=O)N1CCCC[C@@H](NC(=O)O)C1=O.
What is the InChIKey of [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid?
The InChIKey is ZUTIBVDHQFEVSF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-10-8(14)12-5-3-2-4-6(7(12)13)11-9(15)16/h6,11H,2-5H2,1H3,(H,10,14)(H,15,16)/t6-/m1/s1.
What are the key properties of [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid?
[(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid has a molecular weight of 229.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(methylcarbamoyl)-2-oxoazepan-3-yl]carbamic acid is sourced from PubChem (CID 141083733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).