3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C13H24N2O3 — CID 107400167

IUPAC3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC1CCC1)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-15(9-11-6-5-7-11)13(18)14(3)8-10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyJZKCCPMSRCJQLC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.88
Rot. Bonds6

About 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 107400167) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID107400167
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC1CCC1)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-15(9-11-6-5-7-11)13(18)14(3)8-10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyJZKCCPMSRCJQLC-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Carboxyazetidine-1-carbonyl)-ethyl-dimethylazanium
CID 123338457
3-[3-(2-Carboxyethyl)-5-(cyclobutylmethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
CID 154624258
3-[Cyclopropyl-[methyl(4-methylpentan-2-yl)carbamoyl]amino]propanoic acid
CID 55000507
3-[[Methyl(4-methylpentan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55000508
3-[[2-Methylpropyl(propan-2-yl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 55000848
3-[Bis(2-methylpropyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007080
2-Methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
3-[[Cyclohexyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007171
2-Methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007217
3-[[1-Cyclopropylethyl(methyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007225
2-Methyl-3-[methyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 55007226
2-Methyl-3-[methyl-[methyl(pentan-3-yl)carbamoyl]amino]propanoic acid
CID 55007227

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 107400167) is 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCN(CC1CCC1)C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is JZKCCPMSRCJQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-15(9-11-6-5-7-11)13(18)14(3)8-10(2)12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 107400167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).