(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

C11H19N3O5 — CID 114005879

IUPAC(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1(O)CCCN(C(=O)N[C@H](CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-11(19)3-2-4-14(6-11)10(18)13-7(9(16)17)5-8(12)15/h7,19H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7-,11?/m1/s1
InChIKeyUGLVWVGCIBDWNQ-DKSCNQEISA-N
MW273.29 g/mol
LogP-1.13
Rot. Bonds4

About (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 114005879) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
PubChem CID114005879
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
SMILESCC1(O)CCCN(C(=O)N[C@H](CC(N)=O)C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-11(19)3-2-4-14(6-11)10(18)13-7(9(16)17)5-8(12)15/h7,19H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7-,11?/m1/s1
InChIKeyUGLVWVGCIBDWNQ-DKSCNQEISA-N
XLogP-1.13
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

OPRT inhibitor, 13
CID 124221514
(2s,4s)-2-Butyl-6-oxo-3-(3-sulfanylpropanoyl)-hexahydropyrimidine-4-carboxylic acid
CID 129759639
4-Amino-4-oxo-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530598
(2S)-4-amino-4-oxo-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65531181
(2S)-4-amino-4-oxo-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65532721
4-Amino-4-oxo-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65539110
(2R)-4-amino-4-oxo-2-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107828180
(2R)-4-amino-4-oxo-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107828183
2-Tert-butyl-6-oxo-1,3-diazinane-4-carboxylic acid
CID 14803513
(R)-2-((tert-Butoxycarbonyl)amino)-4-oxo-4-(piperidin-1-yl)butanoic acid
CID 15138951
(4S)-2-tert-butyl-6-oxo-1,3-diazinane-4-carboxylic acid
CID 59522949
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid (CID 114005879) is (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is CC1(O)CCCN(C(=O)N[C@H](CC(N)=O)C(=O)O)C1.
What is the InChIKey of (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is UGLVWVGCIBDWNQ-DKSCNQEISA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(19)3-2-4-14(6-11)10(18)13-7(9(16)17)5-8(12)15/h7,19H,2-6H2,1H3,(H2,12,15)(H,13,18)(H,16,17)/t7-,11?/m1/s1.
What are the key properties of (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 273.29 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 114005879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).