(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid

C13H24N2O4 — CID 107827924

IUPAC(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-8-3-4-10(9(2)7-8)14-13(19)15-11(5-6-16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)/t8?,9?,10?,11-/m1/s1
InChIKeyYEFVATRLIDDOJV-AHELAYONSA-N
MW272.34 g/mol
LogP0.95
Rot. Bonds5

About (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107827924) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID107827924
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCC1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-8-3-4-10(9(2)7-8)14-13(19)15-11(5-6-16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)/t8?,9?,10?,11-/m1/s1
InChIKeyYEFVATRLIDDOJV-AHELAYONSA-N
XLogP0.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid (CID 107827924) is (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid is CC1CCC(NC(=O)N[C@H](CCO)C(=O)O)C(C)C1.
What is the InChIKey of (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YEFVATRLIDDOJV-AHELAYONSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8-3-4-10(9(2)7-8)14-13(19)15-11(5-6-16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107827924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).