5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid

C11H19N3O4 — CID 65363801

IUPAC5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H19N3O4/c15-9-8-14(7-3-6-12-9)11(18)13-5-2-1-4-10(16)17/h1-8H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyKXLHLRYQEVIOFW-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid

5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid (PubChem CID 65363801) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
PubChem CID65363801
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H19N3O4/c15-9-8-14(7-3-6-12-9)11(18)13-5-2-1-4-10(16)17/h1-8H2,(H,12,15)(H,13,18)(H,16,17)
InChIKeyKXLHLRYQEVIOFW-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 61183034
3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
2-[1-[[(3-oxo-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162781
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
2-[2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375124
4-[(4-ethyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022705
3-[ethyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 65364140
3-[tert-butyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 65364092
4-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022698
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
(2R)-4-hydroxy-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 107828142

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid (CID 65363801) is 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)N1CCCNC(=O)C1.
What is the InChIKey of 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
The InChIKey is KXLHLRYQEVIOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c15-9-8-14(7-3-6-12-9)11(18)13-5-2-1-4-10(16)17/h1-8H2,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid?
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 65363801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).