1-(3-aminopropanoyl)azepane-2-carboxylic acid

C10H18N2O3 — CID 64564266

IUPAC1-(3-aminopropanoyl)azepane-2-carboxylic acid
SMILESNCCC(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-5-9(13)12-7-3-1-2-4-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)
InChIKeyWBZMLTMHMMLISM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds3

About 1-(3-aminopropanoyl)azepane-2-carboxylic acid

1-(3-aminopropanoyl)azepane-2-carboxylic acid (PubChem CID 64564266) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropanoyl)azepane-2-carboxylic acid
PubChem CID64564266
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3-aminopropanoyl)azepane-2-carboxylic acid
SMILESNCCC(=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c11-6-5-9(13)12-7-3-1-2-4-8(12)10(14)15/h8H,1-7,11H2,(H,14,15)
InChIKeyWBZMLTMHMMLISM-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
CID 79479882
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
1-decanoylazepane-2-carboxylic acid
CID 64558604
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2S)-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 28778059
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropanoyl)azepane-2-carboxylic acid (CID 64564266) is 1-(3-aminopropanoyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropanoyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropanoyl)azepane-2-carboxylic acid is NCCC(=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-(3-aminopropanoyl)azepane-2-carboxylic acid?
The InChIKey is WBZMLTMHMMLISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-6-5-9(13)12-7-3-1-2-4-8(12)10(14)15/h8H,1-7,11H2,(H,14,15).
What are the key properties of 1-(3-aminopropanoyl)azepane-2-carboxylic acid?
1-(3-aminopropanoyl)azepane-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)azepane-2-carboxylic acid is sourced from PubChem (CID 64564266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).