(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid

C13H23NO2 — CID 67022454

IUPAC(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
SMILESN[C@](C(=O)O)(C1CCCCC1)C1CCCC1
InChIInChI=1S/C13H23NO2/c14-13(12(15)16,11-8-4-5-9-11)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)/t13-/m1/s1
InChIKeyZEHRDGLVPYZTHT-CYBMUJFWSA-N
MW225.33 g/mol
LogP2.54
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid

(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid (PubChem CID 67022454) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
PubChem CID67022454
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
SMILESN[C@](C(=O)O)(C1CCCCC1)C1CCCC1
InChIInChI=1S/C13H23NO2/c14-13(12(15)16,11-8-4-5-9-11)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)/t13-/m1/s1
InChIKeyZEHRDGLVPYZTHT-CYBMUJFWSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
CID 67022585
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
(2S)-2-amino-2-cyclopentylpropanoic acid;hydrochloride
CID 66824792
2-amino-2,2-di(cyclobutyl)acetate
CID 19431537
(2R)-2-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 18639738
2-amino-2-cyclopentyl-3-fluoro-3-methylbutanoic acid
CID 105455425
dicyclohexylmethanediamine;hexanedioic acid
CID 70400828
2-amino-2-cyclohexyl-6,6-dimethyl-4-oxoheptanoic acid
CID 18966300
2-amino-2-cyclobutyl-3,3-difluoropropanoic acid
CID 105437833
acetic acid;tert-butylcyclohexane
CID 69013500
3-amino-3-cyclopentylbutanoic acid
CID 55295139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid (CID 67022454) is (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid is N[C@](C(=O)O)(C1CCCCC1)C1CCCC1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid?
The InChIKey is ZEHRDGLVPYZTHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23NO2/c14-13(12(15)16,11-8-4-5-9-11)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)/t13-/m1/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid?
(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid is sourced from PubChem (CID 67022454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).