2-nitrosoazepane-1-carboxylic acid

C7H12N2O3 — CID 123937966

IUPAC2-nitrosoazepane-1-carboxylic acid
SMILESO=NC1CCCCCN1C(=O)O
InChIInChI=1S/C7H12N2O3/c10-7(11)9-5-3-1-2-4-6(9)8-12/h6H,1-5H2,(H,10,11)
InChIKeyVCNBAKIUZMBZPK-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.63
Rot. Bonds1

About 2-nitrosoazepane-1-carboxylic acid

2-nitrosoazepane-1-carboxylic acid (PubChem CID 123937966) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-nitrosoazepane-1-carboxylic acid.

Molecular Properties

Compound Name2-nitrosoazepane-1-carboxylic acid
PubChem CID123937966
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-nitrosoazepane-1-carboxylic acid
SMILESO=NC1CCCCCN1C(=O)O
InChIInChI=1S/C7H12N2O3/c10-7(11)9-5-3-1-2-4-6(9)8-12/h6H,1-5H2,(H,10,11)
InChIKeyVCNBAKIUZMBZPK-UHFFFAOYSA-N
XLogP1.63
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
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(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
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(2S)-2-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylic acid
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(2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylic acid
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2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
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1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
2-(cyanomethyl)pyrrolidine-1-carboxylic acid
CID 22500499
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
2-(cycloheptanecarbonyl)-1,4-diazepane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-nitrosoazepane-1-carboxylic acid?
The IUPAC name of 2-nitrosoazepane-1-carboxylic acid (CID 123937966) is 2-nitrosoazepane-1-carboxylic acid.
What is the SMILES notation for 2-nitrosoazepane-1-carboxylic acid?
The canonical SMILES for 2-nitrosoazepane-1-carboxylic acid is O=NC1CCCCCN1C(=O)O.
What is the InChIKey of 2-nitrosoazepane-1-carboxylic acid?
The InChIKey is VCNBAKIUZMBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-7(11)9-5-3-1-2-4-6(9)8-12/h6H,1-5H2,(H,10,11).
What are the key properties of 2-nitrosoazepane-1-carboxylic acid?
2-nitrosoazepane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosoazepane-1-carboxylic acid is sourced from PubChem (CID 123937966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).