(3-ethylcyclohexyl) (2R)-2-aminopropanoate

C11H21NO2 — CID 78967083

IUPAC(3-ethylcyclohexyl) (2R)-2-aminopropanoate
SMILESCCC1CCCC(OC(=O)[C@@H](C)N)C1
InChIInChI=1S/C11H21NO2/c1-3-9-5-4-6-10(7-9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyMIXDDUQJSMPFDV-XNWIYYODSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About (3-ethylcyclohexyl) (2R)-2-aminopropanoate

(3-ethylcyclohexyl) (2R)-2-aminopropanoate (PubChem CID 78967083) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (3-ethylcyclohexyl) (2R)-2-aminopropanoate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) (2R)-2-aminopropanoate
PubChem CID78967083
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(3-ethylcyclohexyl) (2R)-2-aminopropanoate
SMILESCCC1CCCC(OC(=O)[C@@H](C)N)C1
InChIInChI=1S/C11H21NO2/c1-3-9-5-4-6-10(7-9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3/t8-,9?,10?/m1/s1
InChIKeyMIXDDUQJSMPFDV-XNWIYYODSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-ethylcyclohexyl) (2R)-2-aminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl (2S)-2-aminopropanoate
CID 45086620
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
CID 107837631
(3-ethylcyclohexyl) 5-aminohexanoate
CID 82847639
cycloheptyl 2-aminopropanoate;hydrochloride
CID 74957485
(3-ethylcyclohexyl) 2-methylidenebutanoate
CID 156770755
cyclohexyl 2-aminopropanoate;ethene
CID 144654176
trans-(1S,3S)-1-ethyl-3-propan-2-yloxycyclohexane
CID 177191810
1-(3-ethylcyclohexyl)oxy-3-methylbutan-2-one
CID 79396137
(3,4-dimethylcyclohexyl) (2S)-2-aminopropanoate
CID 64745122
(3-ethylcyclohexyl) (2R)-piperidine-2-carboxylate
CID 79034769
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-aminopropanoate
CID 140607692
(3-methoxycyclohexyl) 2-methylbutanoate
CID 78842013

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) (2R)-2-aminopropanoate?
The IUPAC name of (3-ethylcyclohexyl) (2R)-2-aminopropanoate (CID 78967083) is (3-ethylcyclohexyl) (2R)-2-aminopropanoate.
What is the SMILES notation for (3-ethylcyclohexyl) (2R)-2-aminopropanoate?
The canonical SMILES for (3-ethylcyclohexyl) (2R)-2-aminopropanoate is CCC1CCCC(OC(=O)[C@@H](C)N)C1.
What is the InChIKey of (3-ethylcyclohexyl) (2R)-2-aminopropanoate?
The InChIKey is MIXDDUQJSMPFDV-XNWIYYODSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-5-4-6-10(7-9)14-11(13)8(2)12/h8-10H,3-7,12H2,1-2H3/t8-,9?,10?/m1/s1.
What are the key properties of (3-ethylcyclohexyl) (2R)-2-aminopropanoate?
(3-ethylcyclohexyl) (2R)-2-aminopropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) (2R)-2-aminopropanoate is sourced from PubChem (CID 78967083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).