2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid

C11H20N2O4 — CID 114006821

IUPAC2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCC1CC(C(=O)NCCC(O)C(=O)O)CCN1
InChIInChI=1S/C11H20N2O4/c1-7-6-8(2-4-12-7)10(15)13-5-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyLRBOLIKXRHQUEP-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.67
Rot. Bonds5

About 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid

2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid (PubChem CID 114006821) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
PubChem CID114006821
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCC1CC(C(=O)NCCC(O)C(=O)O)CCN1
InChIInChI=1S/C11H20N2O4/c1-7-6-8(2-4-12-7)10(15)13-5-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17)
InChIKeyLRBOLIKXRHQUEP-UHFFFAOYSA-N
XLogP-0.67
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid (CID 114006821) is 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid is CC1CC(C(=O)NCCC(O)C(=O)O)CCN1.
What is the InChIKey of 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid?
The InChIKey is LRBOLIKXRHQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-6-8(2-4-12-7)10(15)13-5-3-9(14)11(16)17/h7-9,12,14H,2-6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-methylpiperidine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114006821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).