3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

C13H25N3O3 — CID 61189781

IUPAC3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)C(NC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(2)11(12(17)18)14-13(19)16(4)10-5-7-15(3)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeySHGDWOOFNYIDLJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds4

About 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid

3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (PubChem CID 61189781) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
PubChem CID61189781
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
SMILESCC(C)C(NC(=O)N(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-9(2)11(12(17)18)14-13(19)16(4)10-5-7-15(3)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18)
InChIKeySHGDWOOFNYIDLJ-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

(2R)-3-methyl-2-[[methyl(oxan-4-yl)carbamoyl]amino]butanoic acid
CID 79010218
3,3-dimethyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61190624
(2S)-3-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]butanoic acid
CID 82742598
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61196193
4-methoxy-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 62479901
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844
(2S)-2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 61202510
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
(2S)-3-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]butanoic acid
CID 110837593
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]amino]butanoic acid
CID 79315110
3-methyl-2-[[methyl(piperidin-4-yl)carbamoyl]amino]pentanoic acid
CID 61408349
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid (CID 61189781) is 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is CC(C)C(NC(=O)N(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
The InChIKey is SHGDWOOFNYIDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(2)11(12(17)18)14-13(19)16(4)10-5-7-15(3)8-6-10/h9-11H,5-8H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid?
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61189781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).