2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid

C13H24N2O4 — CID 61468188

IUPAC2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-9-5-3-4-6-10(9)14-13(19)15-11(7-8-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyRSHCZRVJQAXSEJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds6

About 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid

2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 61468188) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID61468188
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-2-9-5-3-4-6-10(9)14-13(19)15-11(7-8-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyRSHCZRVJQAXSEJ-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid (CID 61468188) is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid is CCC1CCCCC1NC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is RSHCZRVJQAXSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-9-5-3-4-6-10(9)14-13(19)15-11(7-8-16)12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid?
2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.09, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61468188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).