1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid

C11H21NO2 — CID 82238455

IUPAC1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)N(C)C1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO2/c1-4-9(2)12(3)11(10(13)14)7-5-6-8-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYVQRPICJZVHWBW-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

About 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid

1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 82238455) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
PubChem CID82238455
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
SMILESCCC(C)N(C)C1(C(=O)O)CCCC1
InChIInChI=1S/C11H21NO2/c1-4-9(2)12(3)11(10(13)14)7-5-6-8-11/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyYVQRPICJZVHWBW-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid (CID 82238455) is 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid is CCC(C)N(C)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is YVQRPICJZVHWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9(2)12(3)11(10(13)14)7-5-6-8-11/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid?
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82238455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).