2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid

C14H19NO2 — CID 61001115

IUPAC2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)14(2,13(16)17)15-9-11-7-8-11/h3-6,11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyJIEFRHCIKCUCNY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid

2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid (PubChem CID 61001115) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
PubChem CID61001115
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(C)(NCC1CC1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)14(2,13(16)17)15-9-11-7-8-11/h3-6,11,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyJIEFRHCIKCUCNY-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
2-(4-chlorophenyl)-2-(cyclopropylmethylamino)propanoic acid
CID 61002092
2-(cyclopropylmethylamino)-2-pyridin-3-ylpropanoic acid
CID 61002220
2-(cyclobutylmethylamino)-2-(3-methylphenyl)propanoic acid
CID 114989635
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
2-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)propanoic acid
CID 61001713
2-(cyclopropylmethylamino)-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119000
2-(cyclopropylmethylamino)-2-[4-(difluoromethoxy)phenyl]propanoic acid
CID 61001845
ethyl 2-(cyclopropylmethylamino)-2-(2,5-dimethylphenyl)propanoate
CID 61001487
ethyl 2-(cyclopentylamino)-2-(2-methylphenyl)propanoate
CID 60999013
2-(cyclopropylmethylamino)-2-(2,4,6-trimethylphenyl)propanamide
CID 54889665
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid (CID 61001115) is 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid is Cc1ccccc1C(C)(NCC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid?
The InChIKey is JIEFRHCIKCUCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-3-4-6-12(10)14(2,13(16)17)15-9-11-7-8-11/h3-6,11,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid?
2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 61001115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).