2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid

C10H19NO2 — CID 114988949

IUPAC2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-7-10(2,9(12)13)11(3)8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeySDIBFHKMXGUGBQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid

2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid (PubChem CID 114988949) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
PubChem CID114988949
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N(C)C1CC1
InChIInChI=1S/C10H19NO2/c1-4-7-10(2,9(12)13)11(3)8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeySDIBFHKMXGUGBQ-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid (CID 114988949) is 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid is CCCC(C)(C(=O)O)N(C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid?
The InChIKey is SDIBFHKMXGUGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-10(2,9(12)13)11(3)8-5-6-8/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid?
2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 114988949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).