4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid

C15H22N2O4 — CID 107737106

IUPAC4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
SMILESCCN(C(=O)NC(C)CCC(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C15H22N2O4/c1-4-17(13-9-12(18)7-5-10(13)2)15(21)16-11(3)6-8-14(19)20/h5,7,9,11,18H,4,6,8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyQICAAXWKZQPRFJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.49
Rot. Bonds6

About 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid

4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid (PubChem CID 107737106) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
PubChem CID107737106
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid
SMILESCCN(C(=O)NC(C)CCC(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C15H22N2O4/c1-4-17(13-9-12(18)7-5-10(13)2)15(21)16-11(3)6-8-14(19)20/h5,7,9,11,18H,4,6,8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyQICAAXWKZQPRFJ-UHFFFAOYSA-N
XLogP2.49
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid (CID 107737106) is 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid is CCN(C(=O)NC(C)CCC(=O)O)c1cc(O)ccc1C.
What is the InChIKey of 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid?
The InChIKey is QICAAXWKZQPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(13-9-12(18)7-5-10(13)2)15(21)16-11(3)6-8-14(19)20/h5,7,9,11,18H,4,6,8H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid?
4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107737106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).