3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid

C11H21NO2 — CID 64516179

IUPAC3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)CCC(C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)7-12-11(10(13)14)5-4-9(3)6-11/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyTWBPQVOQJRTQSE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid

3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid (PubChem CID 64516179) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
PubChem CID64516179
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CNC1(C(=O)O)CCC(C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)7-12-11(10(13)14)5-4-9(3)6-11/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyTWBPQVOQJRTQSE-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
4-methyl-1-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 79202744
4-methyl-1-(3-methylbutanoylamino)cyclohexane-1-carboxylic acid
CID 43163143
1-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 114991619
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
3-methyl-1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61294474
1-[[2-(butan-2-ylamino)acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 61161182
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315
1-(3-hydroxypropylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114989050
4-methyl-1-(2,3,3-trimethylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 83142956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid (CID 64516179) is 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid is CC(C)CNC1(C(=O)O)CCC(C)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is TWBPQVOQJRTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)7-12-11(10(13)14)5-4-9(3)6-11/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid?
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64516179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).