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

C14H20N2O5 — CID 107829638

IUPAC(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(C(=O)N[C@H](CCO)C(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C14H20N2O5/c1-3-16(12-8-10(18)5-4-9(12)2)14(21)15-11(6-7-17)13(19)20/h4-5,8,11,17-18H,3,6-7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m1/s1
InChIKeyGVHZJVOWIMHRKA-LLVKDONJSA-N
MW296.32 g/mol
LogP1.07
Rot. Bonds6

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

(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107829638) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107829638
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(C(=O)N[C@H](CCO)C(=O)O)c1cc(O)ccc1C
InChIInChI=1S/C14H20N2O5/c1-3-16(12-8-10(18)5-4-9(12)2)14(21)15-11(6-7-17)13(19)20/h4-5,8,11,17-18H,3,6-7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m1/s1
InChIKeyGVHZJVOWIMHRKA-LLVKDONJSA-N
XLogP1.07
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 107829638) is (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid is CCN(C(=O)N[C@H](CCO)C(=O)O)c1cc(O)ccc1C.
What is the InChIKey of (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is GVHZJVOWIMHRKA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-16(12-8-10(18)5-4-9(12)2)14(21)15-11(6-7-17)13(19)20/h4-5,8,11,17-18H,3,6-7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 296.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107829638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).