(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid

C11H19N3O4 — CID 110837241

IUPAC(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCN1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-14-4-2-7(3-5-14)10(16)13-8(11(17)18)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyOSLYZBFZWOUDHA-QMMMGPOBSA-N
MW257.29 g/mol
LogP-1.23
Rot. Bonds5

About (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 110837241) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
PubChem CID110837241
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
SMILESCN1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-14-4-2-7(3-5-14)10(16)13-8(11(17)18)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)(H,17,18)/t8-/m0/s1
InChIKeyOSLYZBFZWOUDHA-QMMMGPOBSA-N
XLogP-1.23
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
CID 114226244
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
(2S)-4-amino-2-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63717924
4-amino-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43171434
4-amino-2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 114226143
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091
(2S)-4-amino-4-oxo-2-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 103500595
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
(2S)-4-amino-4-oxo-2-(piperidine-1-carbonylamino)butanoic acid
CID 63716218
2-[(1-acetylpiperidine-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 108792200

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid (CID 110837241) is (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid is CN1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1.
What is the InChIKey of (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is OSLYZBFZWOUDHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-14-4-2-7(3-5-14)10(16)13-8(11(17)18)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 110837241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).