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

C13H21N3O4 — CID 65363951

IUPAC2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCCNC(=O)C1)C1CCCC1
InChIInChI=1S/C13H21N3O4/c17-11-8-15(7-3-6-14-11)13(20)16(9-12(18)19)10-4-1-2-5-10/h10H,1-9H2,(H,14,17)(H,18,19)
InChIKeyLUAZPPXZJPXKPJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.26
Rot. Bonds3

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

2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid (PubChem CID 65363951) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
PubChem CID65363951
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCCNC(=O)C1)C1CCCC1
InChIInChI=1S/C13H21N3O4/c17-11-8-15(7-3-6-14-11)13(20)16(9-12(18)19)10-4-1-2-5-10/h10H,1-9H2,(H,14,17)(H,18,19)
InChIKeyLUAZPPXZJPXKPJ-UHFFFAOYSA-N
XLogP0.26
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid (CID 65363951) is 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)N1CCCNC(=O)C1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
The InChIKey is LUAZPPXZJPXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11-8-15(7-3-6-14-11)13(20)16(9-12(18)19)10-4-1-2-5-10/h10H,1-9H2,(H,14,17)(H,18,19).
What are the key properties of 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid?
2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 65363951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).