4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid

C11H21NO2 — CID 65248437

IUPAC4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-12(9-5-6-9)8-7-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyKGVNUOPCFRPUJK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid

4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 65248437) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
PubChem CID65248437
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCN(CCC(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-12(9-5-6-9)8-7-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyKGVNUOPCFRPUJK-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid (CID 65248437) is 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid is CCN(CCC(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is KGVNUOPCFRPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-12(9-5-6-9)8-7-11(2,3)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid?
4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65248437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).