4-amino-3-hydroxyazepane-1-carboxylic acid

C7H14N2O3 — CID 22036680

IUPAC4-amino-3-hydroxyazepane-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-5-2-1-3-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyJUIZAUCGPFWYHU-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.55
Rot. Bonds

About 4-amino-3-hydroxyazepane-1-carboxylic acid

4-amino-3-hydroxyazepane-1-carboxylic acid (PubChem CID 22036680) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-amino-3-hydroxyazepane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-hydroxyazepane-1-carboxylic acid
PubChem CID22036680
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name4-amino-3-hydroxyazepane-1-carboxylic acid
SMILESNC1CCCN(C(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-5-2-1-3-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyJUIZAUCGPFWYHU-UHFFFAOYSA-N
XLogP-0.55
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-hydroxyazepane-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,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylic acid
CID 69429414
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
3-azabicyclo[5.1.0]octane-3-carboxylic acid
CID 150365734
N-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide
CID 15078451
3-(diaminomethylideneamino)piperidine-1-carboxylic acid
CID 77306150
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxyazepane-1-carboxylic acid?
The IUPAC name of 4-amino-3-hydroxyazepane-1-carboxylic acid (CID 22036680) is 4-amino-3-hydroxyazepane-1-carboxylic acid.
What is the SMILES notation for 4-amino-3-hydroxyazepane-1-carboxylic acid?
The canonical SMILES for 4-amino-3-hydroxyazepane-1-carboxylic acid is NC1CCCN(C(=O)O)CC1O.
What is the InChIKey of 4-amino-3-hydroxyazepane-1-carboxylic acid?
The InChIKey is JUIZAUCGPFWYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-5-2-1-3-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12).
What are the key properties of 4-amino-3-hydroxyazepane-1-carboxylic acid?
4-amino-3-hydroxyazepane-1-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of -0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxyazepane-1-carboxylic acid is sourced from PubChem (CID 22036680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).