1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid

C14H24N2O3 — CID 81169332

IUPAC1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
SMILESNCC1(CC(=O)N2CCCCCC2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-14(6-4-7-14)9-12(17)16-8-3-1-2-5-11(16)13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeyQBRIYXBCSBAOQI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid

1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid (PubChem CID 81169332) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
PubChem CID81169332
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
SMILESNCC1(CC(=O)N2CCCCCC2C(=O)O)CCC1
InChIInChI=1S/C14H24N2O3/c15-10-14(6-4-7-14)9-12(17)16-8-3-1-2-5-11(16)13(18)19/h11H,1-10,15H2,(H,18,19)
InChIKeyQBRIYXBCSBAOQI-UHFFFAOYSA-N
XLogP1.36
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
1-[2-[1-(aminomethyl)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 104677512
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
(2R)-1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-2-carboxylic acid
CID 64677043
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81172474
(2S)-1-[2-[1-(aminomethyl)cyclobutyl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81171783
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
2-[1-(aminomethyl)cyclohexyl]-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 104678353
(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
CID 155956904
4-[2-[1-(aminomethyl)cyclohexyl]acetyl]morpholine-3-carboxamide
CID 104678604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid (CID 81169332) is 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid is NCC1(CC(=O)N2CCCCCC2C(=O)O)CCC1.
What is the InChIKey of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid?
The InChIKey is QBRIYXBCSBAOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c15-10-14(6-4-7-14)9-12(17)16-8-3-1-2-5-11(16)13(18)19/h11H,1-10,15H2,(H,18,19).
What are the key properties of 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid?
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid is sourced from PubChem (CID 81169332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).