(2-oxoazepan-3-yl)carbamic acid

C7H12N2O3 — CID 18612606

IUPAC(2-oxoazepan-3-yl)carbamic acid
SMILESO=C(O)NC1CCCCNC1=O
InChIInChI=1S/C7H12N2O3/c10-6-5(9-7(11)12)3-1-2-4-8-6/h5,9H,1-4H2,(H,8,10)(H,11,12)
InChIKeyMBSGJVRAWOPTDL-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.08
Rot. Bonds1

About (2-oxoazepan-3-yl)carbamic acid

(2-oxoazepan-3-yl)carbamic acid (PubChem CID 18612606) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2-oxoazepan-3-yl)carbamic acid.

Molecular Properties

Compound Name(2-oxoazepan-3-yl)carbamic acid
PubChem CID18612606
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2-oxoazepan-3-yl)carbamic acid
SMILESO=C(O)NC1CCCCNC1=O
InChIInChI=1S/C7H12N2O3/c10-6-5(9-7(11)12)3-1-2-4-8-6/h5,9H,1-4H2,(H,8,10)(H,11,12)
InChIKeyMBSGJVRAWOPTDL-UHFFFAOYSA-N
XLogP-0.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
ethyl N-[(3R)-2-oxoazepan-3-yl]carbamate
CID 10821898
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
ethyl 2-oxo-2-[[(3R)-2-oxoazepan-3-yl]amino]acetate
CID 7004152
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
(E)-4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]but-2-enoate
CID 6928381
3-amino-2-hydroxy-N-[(3R)-2-oxoazepan-3-yl]propanamide
CID 134570387
2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
CID 122206979
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094

Frequently Asked Questions

What is the IUPAC name of (2-oxoazepan-3-yl)carbamic acid?
The IUPAC name of (2-oxoazepan-3-yl)carbamic acid (CID 18612606) is (2-oxoazepan-3-yl)carbamic acid.
What is the SMILES notation for (2-oxoazepan-3-yl)carbamic acid?
The canonical SMILES for (2-oxoazepan-3-yl)carbamic acid is O=C(O)NC1CCCCNC1=O.
What is the InChIKey of (2-oxoazepan-3-yl)carbamic acid?
The InChIKey is MBSGJVRAWOPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-6-5(9-7(11)12)3-1-2-4-8-6/h5,9H,1-4H2,(H,8,10)(H,11,12).
What are the key properties of (2-oxoazepan-3-yl)carbamic acid?
(2-oxoazepan-3-yl)carbamic acid has a molecular weight of 172.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxoazepan-3-yl)carbamic acid is sourced from PubChem (CID 18612606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).