2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid

C14H19F2NO3 — CID 122039917

IUPAC2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-2-7-17(9-14(18)19)8-11-3-5-12(6-4-11)20-10-13(15)16/h3-6,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyPMWQCBRXODZOLI-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.63
Rot. Bonds9

About 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid

2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid (PubChem CID 122039917) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
PubChem CID122039917
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC Name2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C14H19F2NO3/c1-2-7-17(9-14(18)19)8-11-3-5-12(6-4-11)20-10-13(15)16/h3-6,13H,2,7-10H2,1H3,(H,18,19)
InChIKeyPMWQCBRXODZOLI-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
2-[[4-(cyclopropylmethoxy)phenyl]methyl-propylamino]acetic acid
CID 122040142
2-[carboxymethyl-[[4-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 65065686
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036978
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
2-[2-[bis(carboxymethyl)amino]ethyl-[[4-[[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]methyl]phenyl]methyl]amino]acetic acid
CID 163523536
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
2-[[4-(2-amino-2-oxoethoxy)phenyl]methyl-(2-methoxyethyl)amino]acetic acid
CID 65067251
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid?
The IUPAC name of 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid (CID 122039917) is 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid?
The canonical SMILES for 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid is CCCN(CC(=O)O)Cc1ccc(OCC(F)F)cc1.
What is the InChIKey of 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid?
The InChIKey is PMWQCBRXODZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-2-7-17(9-14(18)19)8-11-3-5-12(6-4-11)20-10-13(15)16/h3-6,13H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid?
2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2-difluoroethoxy)phenyl]methyl-propylamino]acetic acid is sourced from PubChem (CID 122039917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).