(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid

C13H23N3O4 — CID 107824520

IUPAC(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C(=O)N[C@H](CC(N)=O)C(=O)O)C1CCCNC1
InChIInChI=1S/C13H23N3O4/c1-13(2,8-4-3-5-15-7-8)12(20)16-9(11(18)19)6-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19)/t8?,9-/m1/s1
InChIKeyLPMNJDCCJURVNK-YGPZHTELSA-N
MW285.34 g/mol
LogP-0.54
Rot. Bonds6

About (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid (PubChem CID 107824520) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
PubChem CID107824520
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
SMILESCC(C)(C(=O)N[C@H](CC(N)=O)C(=O)O)C1CCCNC1
InChIInChI=1S/C13H23N3O4/c1-13(2,8-4-3-5-15-7-8)12(20)16-9(11(18)19)6-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19)/t8?,9-/m1/s1
InChIKeyLPMNJDCCJURVNK-YGPZHTELSA-N
XLogP-0.54
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

methyl 4-methyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]pentanoate
CID 83198704
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
CID 83200067
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
CID 83199342
N-[(1R)-1-cycloheptylethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83198749
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
4-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]cyclohexane-1-carboxamide
CID 83034807
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid (CID 107824520) is (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid is CC(C)(C(=O)N[C@H](CC(N)=O)C(=O)O)C1CCCNC1.
What is the InChIKey of (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid?
The InChIKey is LPMNJDCCJURVNK-YGPZHTELSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,8-4-3-5-15-7-8)12(20)16-9(11(18)19)6-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107824520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).