2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid

C14H24N2O4 — CID 62966758

IUPAC2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)C2CCCC2)CCCO1
InChIInChI=1S/C14H24N2O4/c1-11-9-15(7-4-8-20-11)14(19)16(10-13(17)18)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyUMDWNZSRVWEGSU-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.55
Rot. Bonds3

About 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid

2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid (PubChem CID 62966758) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
PubChem CID62966758
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
SMILESCC1CN(C(=O)N(CC(=O)O)C2CCCC2)CCCO1
InChIInChI=1S/C14H24N2O4/c1-11-9-15(7-4-8-20-11)14(19)16(10-13(17)18)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyUMDWNZSRVWEGSU-UHFFFAOYSA-N
XLogP1.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic 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

2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]-cyclopentylamino]acetic acid
CID 55030286
2-methyl-3-[methyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]propanoic acid
CID 55140571
2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393934
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
2-[(3-tert-butylpyrrolidine-1-carbonyl)-cyclopropylamino]acetic acid
CID 113418208
(3R)-1-(2-methyl-1,4-oxazepane-4-carbonyl)piperidine-3-carboxylic acid
CID 81120994
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid (CID 62966758) is 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid is CC1CN(C(=O)N(CC(=O)O)C2CCCC2)CCCO1.
What is the InChIKey of 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid?
The InChIKey is UMDWNZSRVWEGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11-9-15(7-4-8-20-11)14(19)16(10-13(17)18)12-5-2-3-6-12/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid?
2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 62966758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).