2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid

C12H14F2N2O5 — CID 61227372

IUPAC2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1ccccc1OC(F)F)NC(CCO)C(=O)O
InChIInChI=1S/C12H14F2N2O5/c13-11(14)21-9-4-2-1-3-7(9)15-12(20)16-8(5-6-17)10(18)19/h1-4,8,11,17H,5-6H2,(H,18,19)(H2,15,16,20)
InChIKeyYIJGRLPFEVXIAZ-UHFFFAOYSA-N
MW304.25 g/mol
LogP1.25
Rot. Bonds7

About 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid

2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 61227372) has the molecular formula C12H14F2N2O5 and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
PubChem CID61227372
Molecular FormulaC12H14F2N2O5
Molecular Weight304.25 g/mol
Exact Mass304.09
IUPAC Name2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1ccccc1OC(F)F)NC(CCO)C(=O)O
InChIInChI=1S/C12H14F2N2O5/c13-11(14)21-9-4-2-1-3-7(9)15-12(20)16-8(5-6-17)10(18)19/h1-4,8,11,17H,5-6H2,(H,18,19)(H2,15,16,20)
InChIKeyYIJGRLPFEVXIAZ-UHFFFAOYSA-N
XLogP1.25
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895833
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
2-[(2-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61229493
3-[[2-(difluoromethoxy)phenyl]carbamoylamino]-3-methylbutanoic acid
CID 64701229
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556
(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 114005731
N-[2-(difluoromethoxy)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 78991445
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid (CID 61227372) is 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid is O=C(Nc1ccccc1OC(F)F)NC(CCO)C(=O)O.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is YIJGRLPFEVXIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O5/c13-11(14)21-9-4-2-1-3-7(9)15-12(20)16-8(5-6-17)10(18)19/h1-4,8,11,17H,5-6H2,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid?
2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 304.25 g/mol, XLogP of 1.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61227372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).