(3S)-3-aminoazepane-1-carboxylic acid

C7H14N2O2 — CID 67077828

IUPAC(3S)-3-aminoazepane-1-carboxylic acid
SMILESN[C@H]1CCCCN(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c8-6-3-1-2-4-9(5-6)7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyRCRPDCDHGUWERI-LURJTMIESA-N
MW158.20 g/mol
LogP0.48
Rot. Bonds

About (3S)-3-aminoazepane-1-carboxylic acid

(3S)-3-aminoazepane-1-carboxylic acid (PubChem CID 67077828) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S)-3-aminoazepane-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-aminoazepane-1-carboxylic acid
PubChem CID67077828
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(3S)-3-aminoazepane-1-carboxylic acid
SMILESN[C@H]1CCCCN(C(=O)O)C1
InChIInChI=1S/C7H14N2O2/c8-6-3-1-2-4-9(5-6)7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyRCRPDCDHGUWERI-LURJTMIESA-N
XLogP0.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-aminoazepane-1-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

(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
1-(3-aminoazepan-1-yl)prop-2-en-1-one
CID 155149074
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
3-aminoazetidine-1-carboxylic acid;hydrochloride
CID 126721297
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680
3-(bromomethyl)piperidine-1-carboxylic acid
CID 57165302
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
[(3R)-3-aminopiperidin-1-yl]-cyclohex-3-en-1-ylmethanone
CID 102983809
(3-aminopiperidin-1-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 61295519
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958

Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminoazepane-1-carboxylic acid?
The IUPAC name of (3S)-3-aminoazepane-1-carboxylic acid (CID 67077828) is (3S)-3-aminoazepane-1-carboxylic acid.
What is the SMILES notation for (3S)-3-aminoazepane-1-carboxylic acid?
The canonical SMILES for (3S)-3-aminoazepane-1-carboxylic acid is N[C@H]1CCCCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-aminoazepane-1-carboxylic acid?
The InChIKey is RCRPDCDHGUWERI-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c8-6-3-1-2-4-9(5-6)7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (3S)-3-aminoazepane-1-carboxylic acid?
(3S)-3-aminoazepane-1-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminoazepane-1-carboxylic acid is sourced from PubChem (CID 67077828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).