2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid

C10H17N3O4 — CID 64694323

IUPAC2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)N1CCN(C)C(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-7(9(15)16)11-10(17)13-5-4-12(2)8(14)6-13/h7H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFJRFLUNSSKJPET-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.67
Rot. Bonds3

About 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid

2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 64694323) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID64694323
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)N1CCN(C)C(=O)C1)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-3-7(9(15)16)11-10(17)13-5-4-12(2)8(14)6-13/h7H,3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFJRFLUNSSKJPET-UHFFFAOYSA-N
XLogP-0.67
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
CID 64695756
(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 112734917
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
(2S)-4-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-oxobutanoic acid
CID 102891177
(2R)-5-amino-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831186
2-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]acetic acid
CID 64693278
(2R)-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891058
2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 102891217
2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 114007573
1-methyl-4-propanoylpiperazin-2-one
CID 64693548
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
(2S,3R)-3-hydroxy-2-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 102891279

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 64694323) is 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is CCC(NC(=O)N1CCN(C)C(=O)C1)C(=O)O.
What is the InChIKey of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is FJRFLUNSSKJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-3-7(9(15)16)11-10(17)13-5-4-12(2)8(14)6-13/h7H,3-6H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64694323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).