(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid

C13H23NO5 — CID 134874959

IUPAC(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid
SMILESCCOC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C13H23NO5/c1-2-19-13(18)14-10(11(15)12(16)17)8-9-6-4-3-5-7-9/h9-11,15H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1
InChIKeyZAZQEHCSBMXVQW-GHMZBOCLSA-N
MW273.33 g/mol
LogP1.52
Rot. Bonds6

About (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid

(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid (PubChem CID 134874959) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid
PubChem CID134874959
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid
SMILESCCOC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C(=O)O
InChIInChI=1S/C13H23NO5/c1-2-19-13(18)14-10(11(15)12(16)17)8-9-6-4-3-5-7-9/h9-11,15H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1
InChIKeyZAZQEHCSBMXVQW-GHMZBOCLSA-N
XLogP1.52
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid?
The IUPAC name of (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid (CID 134874959) is (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid?
The canonical SMILES for (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid is CCOC(=O)N[C@H](CC1CCCCC1)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid?
The InChIKey is ZAZQEHCSBMXVQW-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO5/c1-2-19-13(18)14-10(11(15)12(16)17)8-9-6-4-3-5-7-9/h9-11,15H,2-8H2,1H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid?
(2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid has a molecular weight of 273.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-cyclohexyl-3-(ethoxycarbonylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 134874959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).