(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid

C10H7F4NO4 — CID 80749154

IUPAC(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F4NO4/c11-4-1-3(6(12)8(14)7(4)13)9(17)15-5(2-16)10(18)19/h1,5,16H,2H2,(H,15,17)(H,18,19)/t5-/m1/s1
InChIKeyOVJGDEZOAKFWLM-RXMQYKEDSA-N
MW281.16 g/mol
LogP0.42
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid

(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid (PubChem CID 80749154) has the molecular formula C10H7F4NO4 and a molecular weight of 281.16 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
PubChem CID80749154
Molecular FormulaC10H7F4NO4
Molecular Weight281.16 g/mol
Exact Mass281.03
IUPAC Name(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid
SMILESO=C(N[C@H](CO)C(=O)O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H7F4NO4/c11-4-1-3(6(12)8(14)7(4)13)9(17)15-5(2-16)10(18)19/h1,5,16H,2H2,(H,15,17)(H,18,19)/t5-/m1/s1
InChIKeyOVJGDEZOAKFWLM-RXMQYKEDSA-N
XLogP0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3,4,5-tetrafluorobenzoyl)amino]butanedioic acid
CID 78910205
2-[(4-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 24690745
2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 43469590
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
2,3,4,5-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103867152
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
(2S)-2-[(2-fluoro-3-methyl-5-nitrobenzoyl)amino]-3-hydroxypropanoic acid
CID 103296976
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107949365
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
(2S)-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]hexanoic acid
CID 107144807
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid (CID 80749154) is (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid is O=C(N[C@H](CO)C(=O)O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid?
The InChIKey is OVJGDEZOAKFWLM-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H7F4NO4/c11-4-1-3(6(12)8(14)7(4)13)9(17)15-5(2-16)10(18)19/h1,5,16H,2H2,(H,15,17)(H,18,19)/t5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid?
(2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid has a molecular weight of 281.16 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2,3,4,5-tetrafluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 80749154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).