3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid

C16H19F2NO3 — CID 119207545

IUPAC3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO3/c1-9(2)19(6-5-15(20)21)16(22)13-8-12(13)11-4-3-10(17)7-14(11)18/h3-4,7,9,12-13H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyQXDHSIMZNWINFX-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.78
Rot. Bonds6

About 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid

3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid (PubChem CID 119207545) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
PubChem CID119207545
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C16H19F2NO3/c1-9(2)19(6-5-15(20)21)16(22)13-8-12(13)11-4-3-10(17)7-14(11)18/h3-4,7,9,12-13H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyQXDHSIMZNWINFX-UHFFFAOYSA-N
XLogP2.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]-(oxan-4-yl)amino]propanoic acid
CID 124702926
trans-(1S,2S)-2-(2,4-difluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 95625187
(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 125149189
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
3-[propan-2-yl-(2,4,6-trifluorobenzoyl)amino]propanoic acid
CID 65100947
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
3-[(2,4-difluorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 55045952
cis-(1R,2S)-2-(2,4-difluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95625451
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219050
3-[(2-bromo-5-fluorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60832760
2-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide
CID 119432498

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid (CID 119207545) is 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid?
The InChIKey is QXDHSIMZNWINFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-9(2)19(6-5-15(20)21)16(22)13-8-12(13)11-4-3-10(17)7-14(11)18/h3-4,7,9,12-13H,5-6,8H2,1-2H3,(H,20,21).
What are the key properties of 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid?
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid has a molecular weight of 311.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).