2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid

C10H10FNO3S — CID 16778206

IUPAC2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(NC(CS)C(=O)O)c1ccccc1F
InChIInChI=1S/C10H10FNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)
InChIKeyWMWGHCGZQYJNBX-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.94
Rot. Bonds4

About 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid

2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid (PubChem CID 16778206) has the molecular formula C10H10FNO3S and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
PubChem CID16778206
Molecular FormulaC10H10FNO3S
Molecular Weight243.26 g/mol
Exact Mass243.04
IUPAC Name2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(NC(CS)C(=O)O)c1ccccc1F
InChIInChI=1S/C10H10FNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15)
InChIKeyWMWGHCGZQYJNBX-UHFFFAOYSA-N
XLogP0.94
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-fluorobenzoyl)amino]-4-sulfanylbutanoic acid
CID 142708958
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708990
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 87373520
2-[(2-acetylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 175133193
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
(2R)-2-[(2-pentylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708966
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
CID 10570753
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid (CID 16778206) is 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid is O=C(NC(CS)C(=O)O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is WMWGHCGZQYJNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3S/c11-7-4-2-1-3-6(7)9(13)12-8(5-16)10(14)15/h1-4,8,16H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid?
2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 16778206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).