2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid

C14H19NO2 — CID 65060071

IUPAC2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
SMILESCc1ccccc1C(C)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H19NO2/c1-9-5-3-4-6-12(9)10(2)15-13(14(16)17)11-7-8-11/h3-6,10-11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyRFZZGWMHYHGKOV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds5

About 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid

2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid (PubChem CID 65060071) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
PubChem CID65060071
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
SMILESCc1ccccc1C(C)NC(C(=O)O)C1CC1
InChIInChI=1S/C14H19NO2/c1-9-5-3-4-6-12(9)10(2)15-13(14(16)17)11-7-8-11/h3-6,10-11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyRFZZGWMHYHGKOV-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
CID 103257847
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
N-carbamoyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81374015
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
methyl 2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-cyclopropylacetate
CID 113369502
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
2-cyclopropyl-2-(2-fluoro-6-methylanilino)acetic acid
CID 103266614
2-cyclopropyl-2-[1-(2-fluorophenyl)propylamino]acetic acid
CID 112680220
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
1-cyclobutyl-N-[(1S)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 113489913

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid (CID 65060071) is 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid is Cc1ccccc1C(C)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid?
The InChIKey is RFZZGWMHYHGKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-3-4-6-12(9)10(2)15-13(14(16)17)11-7-8-11/h3-6,10-11,13,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid?
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 65060071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).