2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

C16H19F2NO3 — CID 119193256

IUPAC2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H19F2NO3/c1-9(2)7-19(8-15(20)21)16(22)13-6-11(13)12-5-10(17)3-4-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H,20,21)
InChIKeyMJZGKQWBUYKLDF-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.64
Rot. Bonds6

About 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid

2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193256) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193256
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H19F2NO3/c1-9(2)7-19(8-15(20)21)16(22)13-6-11(13)12-5-10(17)3-4-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H,20,21)
InChIKeyMJZGKQWBUYKLDF-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193022
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
CID 119205251
(2R)-2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 119369587
3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-propan-2-ylamino]propanoic acid
CID 119207545
N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119654154
(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 125149189

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193256) is 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is MJZGKQWBUYKLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-9(2)7-19(8-15(20)21)16(22)13-6-11(13)12-5-10(17)3-4-14(12)18/h3-5,9,11,13H,6-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 311.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).