3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 64700228

IUPAC3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUOZSWBHYKGSLIQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds3

About 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid

3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 64700228) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID64700228
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCC1CCN(C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUOZSWBHYKGSLIQ-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 64700727
3-methyl-3-(pyrrolidine-1-carbonylamino)butanoic acid
CID 64700424
3-methyl-3-(piperidine-1-carbonylamino)butanoic acid
CID 64701995
3-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701528
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64700072
3-[(3-aminopiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 64701839
N-[3-(hydroxymethyl)pentan-3-yl]-4-methylpiperidine-1-carboxamide
CID 79159386
3-methyl-3-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 64699564
N-(1-hydroxy-3-methylpentan-3-yl)-4-methylpiperidine-1-carboxamide
CID 106168956
3-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 83220057
3-methyl-3-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 114411887
4-methyl-4-[(4-propylpiperidine-1-carbonyl)amino]pentanoic acid
CID 62206502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 64700228) is 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is CC1CCN(C(=O)NC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is UOZSWBHYKGSLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-4-6-14(7-5-9)11(17)13-12(2,3)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid?
3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64700228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).