2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid

C14H23N3O4 — CID 102891286

IUPAC2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
SMILESCN1CCCN(C(=O)N(CC(=O)O)C2CCCC2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-15-7-4-8-16(9-12(15)18)14(21)17(10-13(19)20)11-5-2-3-6-11/h11H,2-10H2,1H3,(H,19,20)
InChIKeyOENAWIHTXBULKR-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.60
Rot. Bonds3

About 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid

2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid (PubChem CID 102891286) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
PubChem CID102891286
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
SMILESCN1CCCN(C(=O)N(CC(=O)O)C2CCCC2)CC1=O
InChIInChI=1S/C14H23N3O4/c1-15-7-4-8-16(9-12(15)18)14(21)17(10-13(19)20)11-5-2-3-6-11/h11H,2-10H2,1H3,(H,19,20)
InChIKeyOENAWIHTXBULKR-UHFFFAOYSA-N
XLogP0.60
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid (CID 102891286) is 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid is CN1CCCN(C(=O)N(CC(=O)O)C2CCCC2)CC1=O.
What is the InChIKey of 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The InChIKey is OENAWIHTXBULKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-15-7-4-8-16(9-12(15)18)14(21)17(10-13(19)20)11-5-2-3-6-11/h11H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 102891286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).