3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid

C14H17FN2O3 — CID 122019259

IUPAC3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
SMILESC=CCN(Cc1ccccc1F)C(=O)NCCC(=O)O
InChIInChI=1S/C14H17FN2O3/c1-2-9-17(14(20)16-8-7-13(18)19)10-11-5-3-4-6-12(11)15/h2-6H,1,7-10H2,(H,16,20)(H,18,19)
InChIKeyKUZHFKANHULYBS-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.00
Rot. Bonds7

About 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid

3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid (PubChem CID 122019259) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
PubChem CID122019259
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
SMILESC=CCN(Cc1ccccc1F)C(=O)NCCC(=O)O
InChIInChI=1S/C14H17FN2O3/c1-2-9-17(14(20)16-8-7-13(18)19)10-11-5-3-4-6-12(11)15/h2-6H,1,7-10H2,(H,16,20)(H,18,19)
InChIKeyKUZHFKANHULYBS-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[butyl-[(2-fluorophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122019066
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
methyl N-[3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]phenyl]carbamate
CID 87035283
2-[carboxymethyl-[2-(2-fluorophenyl)ethylcarbamoyl]amino]acetic acid
CID 63645252
3-[(2-fluorophenyl)methyl-(3-methylbut-2-enoyl)amino]propanoic acid
CID 82326205
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
5-(tert-butylsulfamoyl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 55919608
3-(2-fluoro-N-prop-2-enylanilino)propanoic acid
CID 82317541
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid (CID 122019259) is 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid is C=CCN(Cc1ccccc1F)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid?
The InChIKey is KUZHFKANHULYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-9-17(14(20)16-8-7-13(18)19)10-11-5-3-4-6-12(11)15/h2-6H,1,7-10H2,(H,16,20)(H,18,19).
What are the key properties of 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid?
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122019259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).