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

C14H27N3O3 — CID 64701683

IUPAC3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
SMILESCN1CCC(CN(C)C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,9-12(18)19)15-13(20)17(4)10-11-5-7-16(3)8-6-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyYSDBPNKXXNKOAS-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds5

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

3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid (PubChem CID 64701683) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
PubChem CID64701683
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
SMILESCN1CCC(CN(C)C(=O)NC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-14(2,9-12(18)19)15-13(20)17(4)10-11-5-7-16(3)8-6-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyYSDBPNKXXNKOAS-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
3-methyl-3-[(1-methylpiperidin-4-yl)methylcarbamoylamino]butanoic acid
CID 64701673
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]oxyacetic acid
CID 113498359
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
3-methyl-3-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64701256
3-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 115164651
2-cyclopropyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 63235139
3-methyl-3-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 64702434
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
CID 80548187

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid (CID 64701683) is 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid is CN1CCC(CN(C)C(=O)NC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid?
The InChIKey is YSDBPNKXXNKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(2,9-12(18)19)15-13(20)17(4)10-11-5-7-16(3)8-6-11/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid?
3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 64701683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).