2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid

C9H15NO3 — CID 62817910

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2,8(12)13)10(3)7(11)6-4-5-6/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyHJCJAQHZTCPICV-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds3

About 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid

2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62817910) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62817910
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1CC1)C(C)(C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-9(2,8(12)13)10(3)7(11)6-4-5-6/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyHJCJAQHZTCPICV-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
4-[tert-butyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 115165540
2-methyl-2-[methyl(tricyclo[3.2.1.02,4]octane-3-carbonyl)amino]propanoic acid
CID 103925583
2-[(2-amino-2-cyclopropylpropanoyl)-methylamino]-2-methylpropanoic acid
CID 62819366
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62818498
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
2-methyl-2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 62820953
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
CID 62821818

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid (CID 62817910) is 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)C1CC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is HJCJAQHZTCPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,8(12)13)10(3)7(11)6-4-5-6/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid?
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62817910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).