(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid

C12H13FN2O5 — CID 61153204

IUPAC(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CNC(=O)c1ccccc1F)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H13FN2O5/c13-8-4-2-1-3-7(8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m0/s1
InChIKeyMOONQPILJZPPEK-VIFPVBQESA-N
MW284.24 g/mol
LogP-0.88
Rot. Bonds6

About (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid

(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 61153204) has the molecular formula C12H13FN2O5 and a molecular weight of 284.24 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
PubChem CID61153204
Molecular FormulaC12H13FN2O5
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CNC(=O)c1ccccc1F)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H13FN2O5/c13-8-4-2-1-3-7(8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m0/s1
InChIKeyMOONQPILJZPPEK-VIFPVBQESA-N
XLogP-0.88
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
(2R)-2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 80749551
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid (CID 61153204) is (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid is O=C(CNC(=O)c1ccccc1F)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is MOONQPILJZPPEK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13FN2O5/c13-8-4-2-1-3-7(8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 284.24 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61153204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).