(3-methylcyclohexyl) 2-aminopentanoate

C12H23NO2 — CID 61302315

IUPAC(3-methylcyclohexyl) 2-aminopentanoate
SMILESCCCC(N)C(=O)OC1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-3-5-11(13)12(14)15-10-7-4-6-9(2)8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyOHXBKFDQNXXQHX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds4

About (3-methylcyclohexyl) 2-aminopentanoate

(3-methylcyclohexyl) 2-aminopentanoate (PubChem CID 61302315) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-aminopentanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-aminopentanoate
PubChem CID61302315
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3-methylcyclohexyl) 2-aminopentanoate
SMILESCCCC(N)C(=O)OC1CCCC(C)C1
InChIInChI=1S/C12H23NO2/c1-3-5-11(13)12(14)15-10-7-4-6-9(2)8-10/h9-11H,3-8,13H2,1-2H3
InChIKeyOHXBKFDQNXXQHX-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylcyclohexyl) (2R)-2-amino-3-hydroxypropanoate
CID 80751175
(3-methylcyclohexyl) 2-amino-4-methylsulfonylbutanoate
CID 61304500
cyclopentyl 2-aminopentanoate
CID 61278203
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
(2,6-dimethyloxan-4-yl) (2R)-2-aminopentanoate
CID 107565799
(3-methylcyclohexyl) 4-methylpentanoate
CID 123314054
oxetan-3-yl 2-aminopentanoate
CID 102606817
(3-methylcyclohexyl) 3-amino-2,2-dimethylpropanoate
CID 115428214
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
(3,4-dimethylcyclohexyl) (2R)-2-amino-4-hydroxybutanoate
CID 107825403
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-aminopentanoate?
The IUPAC name of (3-methylcyclohexyl) 2-aminopentanoate (CID 61302315) is (3-methylcyclohexyl) 2-aminopentanoate.
What is the SMILES notation for (3-methylcyclohexyl) 2-aminopentanoate?
The canonical SMILES for (3-methylcyclohexyl) 2-aminopentanoate is CCCC(N)C(=O)OC1CCCC(C)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-aminopentanoate?
The InChIKey is OHXBKFDQNXXQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-11(13)12(14)15-10-7-4-6-9(2)8-10/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (3-methylcyclohexyl) 2-aminopentanoate?
(3-methylcyclohexyl) 2-aminopentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-aminopentanoate is sourced from PubChem (CID 61302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).