2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid

C13H24N2O4 — CID 61443574

IUPAC2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCN(CC1CCCCC1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-15(9-10-5-3-2-4-6-10)13(19)14-11(7-8-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyPCKQICWFXMPWKD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.04
Rot. Bonds6

About 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid

2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 61443574) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID61443574
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCN(CC1CCCCC1)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-15(9-10-5-3-2-4-6-10)13(19)14-11(7-8-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18)
InChIKeyPCKQICWFXMPWKD-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 61443574) is 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid is CN(CC1CCCCC1)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is PCKQICWFXMPWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-15(9-10-5-3-2-4-6-10)13(19)14-11(7-8-16)12(17)18/h10-11,16H,2-9H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid?
2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexylmethyl(methyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61443574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).