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

C10H17N3O5 — CID 114007573

IUPAC2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCN1CCN(C(=O)NCCC(O)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O5/c1-12-4-5-13(6-8(12)15)10(18)11-3-2-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,18)(H,16,17)
InChIKeyOUYHHVKCUKRCKL-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.69
Rot. Bonds4

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

2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 114007573) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID114007573
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCN1CCN(C(=O)NCCC(O)C(=O)O)CC1=O
InChIInChI=1S/C10H17N3O5/c1-12-4-5-13(6-8(12)15)10(18)11-3-2-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,18)(H,16,17)
InChIKeyOUYHHVKCUKRCKL-UHFFFAOYSA-N
XLogP-1.69
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
(2S)-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]pentanedioic acid
CID 64695756
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 64694323
4-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007514
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)-2-hydroxybutanoic acid
CID 107838164
(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
(2S)-2-hydroxy-4-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]butanoic acid
CID 107834366
(2S)-2-hydroxy-4-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 107838122
(2S)-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107838542
(2S)-4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107839962

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 114007573) is 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is CN1CCN(C(=O)NCCC(O)C(=O)O)CC1=O.
What is the InChIKey of 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is OUYHHVKCUKRCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-12-4-5-13(6-8(12)15)10(18)11-3-2-7(14)9(16)17/h7,14H,2-6H2,1H3,(H,11,18)(H,16,17).
What are the key properties of 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 259.26 g/mol, XLogP of -1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114007573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).