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

C12H21N3O4 — CID 63607471

IUPAC2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N1CCNC(=O)C1C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-5-12(3,10(17)18)14-11(19)15-7-6-13-9(16)8(15)2/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVNDRNZPPWXOPQM-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds4

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

2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 63607471) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID63607471
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(C)(NC(=O)N1CCNC(=O)C1C)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-5-12(3,10(17)18)14-11(19)15-7-6-13-9(16)8(15)2/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVNDRNZPPWXOPQM-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpentanoic acid
CID 66068985
2-methyl-3-oxo-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 115613470
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 61409614
3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
CID 63608112
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
3,3-dimethyl-5-[(2S)-2-methyl-3-oxopiperazin-1-yl]-5-oxopentanoic acid
CID 124555735
4-acetyl-3-methylpiperazin-2-one
CID 13190467
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid (CID 63607471) is 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid is CCCC(C)(NC(=O)N1CCNC(=O)C1C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is VNDRNZPPWXOPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-4-5-12(3,10(17)18)14-11(19)15-7-6-13-9(16)8(15)2/h8H,4-7H2,1-3H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid?
2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 63607471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).