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

C13H25NO2 — CID 62270655

IUPAC1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CN(C)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25NO2/c1-4-11(2)9-14(3)10-13(12(15)16)7-5-6-8-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyPMIQRRNNSRVJGI-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds6

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

1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 62270655) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID62270655
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCCC(C)CN(C)CC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25NO2/c1-4-11(2)9-14(3)10-13(12(15)16)7-5-6-8-13/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyPMIQRRNNSRVJGI-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[ethyl(methyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115246423
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
1-[(dimethylamino)methyl]cyclohexane-1-carboxylic acid
CID 23088714
1-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270125
1-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62270493
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
1-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 63211004
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271036
1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79859219

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 62270655) is 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid is CCC(C)CN(C)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is PMIQRRNNSRVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(2)9-14(3)10-13(12(15)16)7-5-6-8-13/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).