2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid

C13H15ClFNO2 — CID 122082931

IUPAC2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C13H15ClFNO2/c1-8(13(17)18)16(10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,8,10H,5-7H2,1H3,(H,17,18)
InChIKeyDJYPFJODSSXMEP-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.92
Rot. Bonds5

About 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid

2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid (PubChem CID 122082931) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
PubChem CID122082931
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C13H15ClFNO2/c1-8(13(17)18)16(10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,8,10H,5-7H2,1H3,(H,17,18)
InChIKeyDJYPFJODSSXMEP-UHFFFAOYSA-N
XLogP2.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(cyclopropyl)amino]propanoic acid
CID 119134457
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
2-[cyclopropyl(naphthalen-2-ylmethyl)amino]propanoic acid
CID 119134911
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
(2R)-2-[(3-chloro-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 120511133
2-[(4-bromo-2-methylphenyl)methyl-cyclopropylamino]propanoic acid
CID 122100408
2-[cyclopropyl-[[3-(difluoromethoxy)phenyl]methyl]amino]propanoic acid
CID 122100606
methyl 2-[(3-chloro-2-fluorophenyl)methyl-cyclopentylamino]acetate
CID 103887261
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-[cyclopropyl-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl]amino]propanoic acid
CID 122100426
2-[cyclopropyl-[[1-(2,6-difluorophenyl)pyrazol-3-yl]methyl]amino]propanoic acid
CID 122100438
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid (CID 122082931) is 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid is CC(C(=O)O)N(Cc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid?
The InChIKey is DJYPFJODSSXMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-8(13(17)18)16(10-5-6-10)7-9-3-2-4-11(14)12(9)15/h2-4,8,10H,5-7H2,1H3,(H,17,18).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid?
2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid has a molecular weight of 271.72 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122082931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).