2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid

C14H17F2NO3 — CID 61001845

IUPAC2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-9-2-3-9)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyYHTFBEWNQWRYJC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.59
Rot. Bonds7

About 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid

2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid (PubChem CID 61001845) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
PubChem CID61001845
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-9-2-3-9)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyYHTFBEWNQWRYJC-UHFFFAOYSA-N
XLogP2.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoic acid
CID 43753895
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopentylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 60997541
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
methyl 2-(cyclopropylmethylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 61002805
3-[4-(difluoromethoxy)phenyl]-3-hydroxybutanoic acid
CID 62395470
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
ethyl 2-[4-(difluoromethoxy)phenyl]-2-(ethylamino)propanoate
CID 60786372
methyl 2-[4-(difluoromethoxy)phenyl]-2-(propylamino)propanoate
CID 60795366
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-[3-(difluoromethoxy)phenyl]-2-(propylamino)propanoic acid
CID 43754107
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid (CID 61001845) is 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid is CC(NCC1CC1)(C(=O)O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
The InChIKey is YHTFBEWNQWRYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-9-2-3-9)10-4-6-11(7-5-10)20-13(15)16/h4-7,9,13,17H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid?
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid has a molecular weight of 285.29 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid is sourced from PubChem (CID 61001845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).