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

C13H24N2O3 — CID 114424387

IUPAC2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)C1CC(C)CCN1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(3,12(17)18)8-15-11(16)10-7-9(2)5-6-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKIGCAXNLVXKBDO-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds5

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

2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid (PubChem CID 114424387) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
PubChem CID114424387
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)C1CC(C)CCN1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(3,12(17)18)8-15-11(16)10-7-9(2)5-6-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyKIGCAXNLVXKBDO-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-4-methylpiperidine-2-carboxamide
CID 103461667
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
N-(2-ethylbutyl)-4-methylpiperidine-2-carboxamide
CID 114424587
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
4-methyl-N-(3-methylbut-2-enyl)piperidine-2-carboxamide
CID 106186997
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121
N-(2,2-dichloroethyl)-4-methylpiperidine-2-carboxamide
CID 130551928
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-2-carboxamide
CID 114422931
4-methyl-N-(2,4,4-trimethylpentan-2-yl)piperidine-2-carboxamide
CID 114423167
N-(2-ethylsulfinylethyl)-4-methylpiperidine-2-carboxamide
CID 114424559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid (CID 114424387) is 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid is CCC(C)(CNC(=O)C1CC(C)CCN1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid?
The InChIKey is KIGCAXNLVXKBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(3,12(17)18)8-15-11(16)10-7-9(2)5-6-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid?
2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 114424387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).