4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid

C9H15N3O4 — CID 61183034

IUPAC4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H15N3O4/c13-7-6-12(5-4-10-7)9(16)11-3-1-2-8(14)15/h1-6H2,(H,10,13)(H,11,16)(H,14,15)
InChIKeyCLSRRJOOJCHGCB-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.01
Rot. Bonds4

About 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid

4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 61183034) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID61183034
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H15N3O4/c13-7-6-12(5-4-10-7)9(16)11-3-1-2-8(14)15/h1-6H2,(H,10,13)(H,11,16)(H,14,15)
InChIKeyCLSRRJOOJCHGCB-UHFFFAOYSA-N
XLogP-1.01
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.01
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

3-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61182862
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363801
N-hexyl-3-oxopiperazine-1-carboxamide
CID 134847041
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
2-[1-[[(3-oxopiperazine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81161942
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-[(4-ethyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022705
4-(5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carbonylamino)butanoic acid
CID 122023007

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 61183034) is 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is CLSRRJOOJCHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c13-7-6-12(5-4-10-7)9(16)11-3-1-2-8(14)15/h1-6H2,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid?
4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 229.24 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61183034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).