2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid

C14H19NO2 — CID 103258836

IUPAC2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc([C@@H](C)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13(14(16)17)12-7-8-12/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17)/t10-,13?/m1/s1
InChIKeySPQHVPYOHGNMCF-VUUHIHSGSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds5

About 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid

2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid (PubChem CID 103258836) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
PubChem CID103258836
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
SMILESCc1ccc([C@@H](C)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13(14(16)17)12-7-8-12/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17)/t10-,13?/m1/s1
InChIKeySPQHVPYOHGNMCF-VUUHIHSGSA-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-[1-(4-propoxyphenyl)ethylamino]acetic acid
CID 65061806
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
2-cyclopropyl-2-[1-(2-methylphenyl)ethylamino]acetic acid
CID 65060071
2-cyclopropyl-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetic acid
CID 103257847
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
2-[[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695427

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid (CID 103258836) is 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid is Cc1ccc([C@@H](C)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid?
The InChIKey is SPQHVPYOHGNMCF-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13(14(16)17)12-7-8-12/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17)/t10-,13?/m1/s1.
What are the key properties of 2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid?
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]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-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 103258836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).