(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid

C13H17FN2O4 — CID 107827402

IUPAC(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(C(=O)N[C@H](CCO)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O4/c1-2-16(10-5-3-9(14)4-6-10)13(20)15-11(7-8-17)12(18)19/h3-6,11,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyHEENPXHEVHJBGI-LLVKDONJSA-N
MW284.29 g/mol
LogP1.20
Rot. Bonds6

About (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid

(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid (PubChem CID 107827402) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
PubChem CID107827402
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
SMILESCCN(C(=O)N[C@H](CCO)C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2O4/c1-2-16(10-5-3-9(14)4-6-10)13(20)15-11(7-8-17)12(18)19/h3-6,11,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t11-/m1/s1
InChIKeyHEENPXHEVHJBGI-LLVKDONJSA-N
XLogP1.20
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 107827366
(2R)-4-amino-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827403
2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
CID 61191995
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
(2S)-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 107145902
(2S)-2-[[(4-fluorophenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145944
(2R)-2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107829638
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
(2S)-4-amino-2-[[ethyl-(4-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717562
2-[[[ethyl-(4-fluorophenyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65222194
2-[(4-fluorophenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 61229882
N-ethyl-N-(4-fluorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66137274

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid (CID 107827402) is (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid is CCN(C(=O)N[C@H](CCO)C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
The InChIKey is HEENPXHEVHJBGI-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-2-16(10-5-3-9(14)4-6-10)13(20)15-11(7-8-17)12(18)19/h3-6,11,17H,2,7-8H2,1H3,(H,15,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid?
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid has a molecular weight of 284.29 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107827402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).