(2-ethylcyclohexyl) 2-amino-3-methylbutanoate

C13H25NO2 — CID 61277440

IUPAC(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
SMILESCCC1CCCCC1OC(=O)C(N)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-10-7-5-6-8-11(10)16-13(15)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3
InChIKeyPZQGMQHUSSZMJK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.48
Rot. Bonds4

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

(2-ethylcyclohexyl) 2-amino-3-methylbutanoate (PubChem CID 61277440) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
PubChem CID61277440
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
SMILESCCC1CCCCC1OC(=O)C(N)C(C)C
InChIInChI=1S/C13H25NO2/c1-4-10-7-5-6-8-11(10)16-13(15)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3
InChIKeyPZQGMQHUSSZMJK-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61277251
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686005
(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
CID 106109472
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
CID 79011794
cyclohexylmethyl 2-amino-3-methylbutanoate
CID 62383261
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
CID 113311275
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
(2-ethylcyclohexyl) 3-methylpiperidine-2-carboxylate
CID 107071125
(2-ethylcyclohexyl) 4-methoxybutanoate
CID 78885705

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 2-amino-3-methylbutanoate?
The IUPAC name of (2-ethylcyclohexyl) 2-amino-3-methylbutanoate (CID 61277440) is (2-ethylcyclohexyl) 2-amino-3-methylbutanoate.
What is the SMILES notation for (2-ethylcyclohexyl) 2-amino-3-methylbutanoate?
The canonical SMILES for (2-ethylcyclohexyl) 2-amino-3-methylbutanoate is CCC1CCCCC1OC(=O)C(N)C(C)C.
What is the InChIKey of (2-ethylcyclohexyl) 2-amino-3-methylbutanoate?
The InChIKey is PZQGMQHUSSZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-10-7-5-6-8-11(10)16-13(15)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3.
What are the key properties of (2-ethylcyclohexyl) 2-amino-3-methylbutanoate?
(2-ethylcyclohexyl) 2-amino-3-methylbutanoate has a molecular weight of 227.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 2-amino-3-methylbutanoate is sourced from PubChem (CID 61277440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).