(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate

C12H23NO3 — CID 106109472

IUPAC(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
SMILESCCC1CCCCC1OC(=O)C(CN)OC
InChIInChI=1S/C12H23NO3/c1-3-9-6-4-5-7-10(9)16-12(14)11(8-13)15-2/h9-11H,3-8,13H2,1-2H3
InChIKeyGZKDXLHTYAQEMX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.47
Rot. Bonds5

About (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate

(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate (PubChem CID 106109472) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
PubChem CID106109472
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
SMILESCCC1CCCCC1OC(=O)C(CN)OC
InChIInChI=1S/C12H23NO3/c1-3-9-6-4-5-7-10(9)16-12(14)11(8-13)15-2/h9-11H,3-8,13H2,1-2H3
InChIKeyGZKDXLHTYAQEMX-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methylcyclohexyl)oxyethyl 3-amino-2-methylpropanoate
CID 118214291
(2-Ethylcyclohexyl) 3-aminopropanoate
CID 61276837
(2-Methylcyclohexyl) 3-aminopropanoate
CID 61279872
(2-Methylcyclohexyl) morpholine-2-carboxylate
CID 61738383
(2-Ethylcyclohexyl) morpholine-2-carboxylate
CID 61738384
(2-Methylcyclohexyl) 3-amino-2-methylpropanoate
CID 62670621
(2-Ethylcyclohexyl) 3-amino-2-methylpropanoate
CID 62670786
3-Amino-2-(3-methylcyclohexyl)oxypropanoic acid
CID 64694427
3-Amino-2-(cyclohexylmethoxy)propanoic acid
CID 64695056
3-Amino-2-(2-ethylhexoxy)propanoic acid
CID 64695231
3-Amino-2-(3-ethylcyclohexyl)oxypropanoic acid
CID 64695443
Ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate?
The IUPAC name of (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate (CID 106109472) is (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate?
The canonical SMILES for (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate is CCC1CCCCC1OC(=O)C(CN)OC.
What is the InChIKey of (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate?
The InChIKey is GZKDXLHTYAQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-9-6-4-5-7-10(9)16-12(14)11(8-13)15-2/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate?
(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 3-amino-2-methoxypropanoate is sourced from PubChem (CID 106109472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).