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

C11H19N3O4 — CID 63607472

IUPAC(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)N1CCNC(=O)C1C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6(2)8(10(16)17)13-11(18)14-5-4-12-9(15)7(14)3/h6-8H,4-5H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyKEOFQIKNWVDVIG-MQWKRIRWSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds3

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

(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 63607472) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID63607472
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)N1CCNC(=O)C1C)C(=O)O
InChIInChI=1S/C11H19N3O4/c1-6(2)8(10(16)17)13-11(18)14-5-4-12-9(15)7(14)3/h6-8H,4-5H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyKEOFQIKNWVDVIG-MQWKRIRWSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
4-acetyl-3-methylpiperazin-2-one
CID 13190467
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115613470
(2R)-2-[(2-ethyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 107566992
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
CID 63607417
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 63607472) is (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is CC(C)[C@H](NC(=O)N1CCNC(=O)C1C)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is KEOFQIKNWVDVIG-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(2)8(10(16)17)13-11(18)14-5-4-12-9(15)7(14)3/h6-8H,4-5H2,1-3H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63607472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).