(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate

C12H23NO3 — CID 107837631

IUPAC(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
SMILESCCC1CCCC(OC(=O)C(O)CCN)C1
InChIInChI=1S/C12H23NO3/c1-2-9-4-3-5-10(8-9)16-12(15)11(14)6-7-13/h9-11,14H,2-8,13H2,1H3
InChIKeyWPNXRVAWWCSGQH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.21
Rot. Bonds5

About (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate

(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate (PubChem CID 107837631) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
PubChem CID107837631
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate
SMILESCCC1CCCC(OC(=O)C(O)CCN)C1
InChIInChI=1S/C12H23NO3/c1-2-9-4-3-5-10(8-9)16-12(15)11(14)6-7-13/h9-11,14H,2-8,13H2,1H3
InChIKeyWPNXRVAWWCSGQH-UHFFFAOYSA-N
XLogP1.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-norstatine
CID 5289045
beta-Amino-alpha-hydroxycyclohexanebutanoic acid, 1-methylethyl ester
CID 3256856
(2RS, 3S)-3-amino-4-cyclohexyl-2-hydroxybutyric acid isopropyl ester
CID 14014853
propan-2-yl (2S,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate
CID 14014856
Propan-2-yl 4-amino-4-cyclohexyl-2-hydroxybutanoate
CID 57000208
Propan-2-yl 4-(3-aminocyclohexyl)-2-hydroxybutanoate
CID 70047881
Methyl 4-amino-4-cyclohexyl-2-hydroxybutanoate
CID 70362548
(3-Ethylcyclohexyl) 4-aminobutanoate
CID 64255938
4-Amino-2-(3-methylcyclohexyl)oxybutanoic acid
CID 64694225
4-Amino-2-(3,3,5-trimethylcyclohexyl)oxybutanoic acid
CID 64694832
4-Amino-2-(cyclohexylmethoxy)butanoic acid
CID 64694870
4-Amino-2-(2-ethylhexoxy)butanoic acid
CID 64695034

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate?
The IUPAC name of (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate (CID 107837631) is (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate.
What is the SMILES notation for (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate?
The canonical SMILES for (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate is CCC1CCCC(OC(=O)C(O)CCN)C1.
What is the InChIKey of (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate?
The InChIKey is WPNXRVAWWCSGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-9-4-3-5-10(8-9)16-12(15)11(14)6-7-13/h9-11,14H,2-8,13H2,1H3.
What are the key properties of (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate?
(3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate has a molecular weight of 229.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).