2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid

C14H17F2NO3 — CID 122100606

IUPAC2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccc(OC(F)F)c1)C1CC1
InChIInChI=1S/C14H17F2NO3/c1-9(13(18)19)17(11-5-6-11)8-10-3-2-4-12(7-10)20-14(15)16/h2-4,7,9,11,14H,5-6,8H2,1H3,(H,18,19)
InChIKeyOILTZDNRMMUTEM-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.73
Rot. Bonds7

About 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid

2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid (PubChem CID 122100606) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
PubChem CID122100606
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccc(OC(F)F)c1)C1CC1
InChIInChI=1S/C14H17F2NO3/c1-9(13(18)19)17(11-5-6-11)8-10-3-2-4-12(7-10)20-14(15)16/h2-4,7,9,11,14H,5-6,8H2,1H3,(H,18,19)
InChIKeyOILTZDNRMMUTEM-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 119134927
2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
2-[cyclopropyl-[(5-phenylmethoxy-3-pyridinyl)methyl]amino]propanoic acid
CID 122100417
2-[cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100783
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
CID 43460860
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-propylpropanamide
CID 43460855

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid (CID 122100606) is 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid is CC(C(=O)O)N(Cc1cccc(OC(F)F)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid?
The InChIKey is OILTZDNRMMUTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9(13(18)19)17(11-5-6-11)8-10-3-2-4-12(7-10)20-14(15)16/h2-4,7,9,11,14H,5-6,8H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid?
2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid has a molecular weight of 285.29 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid is sourced from PubChem (CID 122100606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).