2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid

C13H15F2NO2 — CID 61001335

IUPAC2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-13(12(17)18,16-7-8-2-3-8)10-5-4-9(14)6-11(10)15/h4-6,8,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyDHPZJCUGINIAOW-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.26
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid

2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid (PubChem CID 61001335) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
PubChem CID61001335
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO2/c1-13(12(17)18,16-7-8-2-3-8)10-5-4-9(14)6-11(10)15/h4-6,8,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyDHPZJCUGINIAOW-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-(2-azidoethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 66190200
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(cyclopropylamino)-2-(2,4-difluorophenyl)propanamide
CID 60795802
methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
CID 60787394
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propanamide
CID 60997602
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
methyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119001
methyl 2-(cyclopropylmethylamino)-2-(2,4-dichloro-5-fluorophenyl)propanoate
CID 61001613

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid (CID 61001335) is 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid is CC(NCC1CC1)(C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid?
The InChIKey is DHPZJCUGINIAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-13(12(17)18,16-7-8-2-3-8)10-5-4-9(14)6-11(10)15/h4-6,8,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid?
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid has a molecular weight of 255.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid is sourced from PubChem (CID 61001335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).