2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid

C15H19NO3 — CID 55008067

IUPAC2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-11(13(17)18)10-16(2)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeyGOTRXLKATXIZME-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid

2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 55008067) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID55008067
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)C1(c2ccccc2)CC1)C(=O)O
InChIInChI=1S/C15H19NO3/c1-11(13(17)18)10-16(2)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18)
InChIKeyGOTRXLKATXIZME-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 122107742
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62878656
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831044
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 134005949
N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
3-[(4-hydroxy-4-phenylcyclohexyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122009970
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid (CID 55008067) is 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid is CC(CN(C)C(=O)C1(c2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is GOTRXLKATXIZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(13(17)18)10-16(2)14(19)15(8-9-15)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 55008067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).