2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid

C13H15Cl2NO2 — CID 61001713

IUPAC2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-13(12(17)18,16-7-8-2-3-8)9-4-5-10(14)11(15)6-9/h4-6,8,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyWIVVWFAWUVEDNM-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.29
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid

2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid (PubChem CID 61001713) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
PubChem CID61001713
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
SMILESCC(NCC1CC1)(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO2/c1-13(12(17)18,16-7-8-2-3-8)9-4-5-10(14)11(15)6-9/h4-6,8,16H,2-3,7H2,1H3,(H,17,18)
InChIKeyWIVVWFAWUVEDNM-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)propanamide
CID 54889480
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
CID 61001115
2-(3,4-dichlorophenyl)-2-[[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]amino]propanoic acid
CID 136583482
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
CID 67957962

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid (CID 61001713) is 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid is CC(NCC1CC1)(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid?
The InChIKey is WIVVWFAWUVEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-13(12(17)18,16-7-8-2-3-8)9-4-5-10(14)11(15)6-9/h4-6,8,16H,2-3,7H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid?
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid has a molecular weight of 288.17 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 61001713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).