3-amino-2,3-dimethylcyclopentane-1-carboxylic acid

C8H15NO2 — CID 45122086

IUPAC3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1C(C(=O)O)CCC1(C)N
InChIInChI=1S/C8H15NO2/c1-5-6(7(10)11)3-4-8(5,2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLSXQCJOVNAEGIT-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds1

About 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid

3-amino-2,3-dimethylcyclopentane-1-carboxylic acid (PubChem CID 45122086) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
PubChem CID45122086
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-amino-2,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1C(C(=O)O)CCC1(C)N
InChIInChI=1S/C8H15NO2/c1-5-6(7(10)11)3-4-8(5,2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLSXQCJOVNAEGIT-UHFFFAOYSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
1,2-dimethylcyclobutan-1-amine;formic acid
CID 175124192
carbamic acid;1,2-dimethylcyclohexan-1-amine
CID 175425918
2-cyclopropyl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020675
(3aR,7aS)-3a-methyl-1,2,3,4,5,6,7,7a-octahydroindene-1-carboxylic acid
CID 15322398
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
1-hydroxy-2,2,5-trimethylcyclopentane-1-carboxylic acid
CID 83905947
4-methoxy-2,4-dimethylcyclohexane-1-carboxylic acid
CID 118911768
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid (CID 45122086) is 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid is CC1C(C(=O)O)CCC1(C)N.
What is the InChIKey of 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is LSXQCJOVNAEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6(7(10)11)3-4-8(5,2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid?
3-amino-2,3-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 45122086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).