3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

C15H26N2O3 — CID 122014139

IUPAC3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NC(C1CCC1)C1CCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10(14(18)19)9-17(2)15(20)16-13(11-5-3-6-11)12-7-4-8-12/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWVFFTKICBUXPHJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.32
Rot. Bonds6

About 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122014139) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122014139
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NC(C1CCC1)C1CCC1)C(=O)O
InChIInChI=1S/C15H26N2O3/c1-10(14(18)19)9-17(2)15(20)16-13(11-5-3-6-11)12-7-4-8-12/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWVFFTKICBUXPHJ-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl-[(4-propan-2-ylcycloheptyl)carbamoyl]amino]propanoic acid
CID 122010343
3-[(1-cyclopropyl-2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122007487
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
3-[(4-ethylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007231
2-methyl-3-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 55007380
2-methyl-3-[methyl(spiro[5.5]undecan-3-ylcarbamoyl)amino]propanoic acid
CID 122011341
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
2-methyl-3-[methyl(thiolan-3-ylcarbamoyl)amino]propanoic acid
CID 103064184
2-methyl-3-[methyl-[(2-methylcyclopropyl)carbamoyl]amino]propanoic acid
CID 62409602
2-methyl-3-[methyl-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]amino]propanoic acid
CID 103968098

Frequently Asked Questions

What is the IUPAC name of 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 122014139) is 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)NC(C1CCC1)C1CCC1)C(=O)O.
What is the InChIKey of 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is WVFFTKICBUXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(14(18)19)9-17(2)15(20)16-13(11-5-3-6-11)12-7-4-8-12/h10-13H,3-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122014139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).