3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid

C10H10F2N2O4 — CID 66167999

IUPAC3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)Nc1cccc(F)c1F
InChIInChI=1S/C10H10F2N2O4/c11-5-2-1-3-6(8(5)12)14-10(18)13-4-7(15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18)
InChIKeyIPQWVJVKQAPTCI-UHFFFAOYSA-N
MW260.20 g/mol
LogP0.53
Rot. Bonds4

About 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid

3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid (PubChem CID 66167999) has the molecular formula C10H10F2N2O4 and a molecular weight of 260.20 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
PubChem CID66167999
Molecular FormulaC10H10F2N2O4
Molecular Weight260.20 g/mol
Exact Mass260.06
IUPAC Name3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)Nc1cccc(F)c1F
InChIInChI=1S/C10H10F2N2O4/c11-5-2-1-3-6(8(5)12)14-10(18)13-4-7(15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18)
InChIKeyIPQWVJVKQAPTCI-UHFFFAOYSA-N
XLogP0.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2-chloro-6-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 114007759
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-(2,3-difluorophenyl)-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 111103722
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
1-amino-3-(2,3-difluorophenyl)urea
CID 61075420
2-[(2,3-difluorophenyl)carbamoylamino]-N-ethylacetamide
CID 86856275
2-[(2,3-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61207863
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
(2S)-3-[(2-bromo-5-chlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840607
(2S)-3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841588
2-hydroxy-3-[(2,4,5-trichlorophenyl)carbamoylamino]propanoic acid
CID 66166112
1-(2,3-difluorophenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110908511

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid (CID 66167999) is 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)Nc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
The InChIKey is IPQWVJVKQAPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O4/c11-5-2-1-3-6(8(5)12)14-10(18)13-4-7(15)9(16)17/h1-3,7,15H,4H2,(H,16,17)(H2,13,14,18).
What are the key properties of 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid?
3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid has a molecular weight of 260.20 g/mol, XLogP of 0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)carbamoylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).