2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid

C14H15FN2O4 — CID 79265565

IUPAC2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O4/c1-2-7-17(9-13(19)20)12(18)8-16-14(21)10-5-3-4-6-11(10)15/h2-6H,1,7-9H2,(H,16,21)(H,19,20)
InChIKeyVRMDTCVSDQBRKX-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.65
Rot. Bonds7

About 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid

2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid (PubChem CID 79265565) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
PubChem CID79265565
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C14H15FN2O4/c1-2-7-17(9-13(19)20)12(18)8-16-14(21)10-5-3-4-6-11(10)15/h2-6H,1,7-9H2,(H,16,21)(H,19,20)
InChIKeyVRMDTCVSDQBRKX-UHFFFAOYSA-N
XLogP0.65
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-chlorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79264733
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 61021393
2-[prop-2-enyl-[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 79263328
2-[(2-chloro-3-fluorobenzoyl)-prop-2-enylamino]acetic acid
CID 81454566
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-[[2-(2-aminoethyl)benzoyl]-prop-2-enylamino]acetic acid
CID 79264345
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
N-(2-bromoprop-2-enyl)-2-fluorobenzamide
CID 115594605
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-[[2-[(2-bromobenzoyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79271583

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid (CID 79265565) is 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid?
The InChIKey is VRMDTCVSDQBRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-2-7-17(9-13(19)20)12(18)8-16-14(21)10-5-3-4-6-11(10)15/h2-6H,1,7-9H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid?
2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid has a molecular weight of 294.28 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79265565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).