2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid

C16H23NO2 — CID 79982333

IUPAC2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccccc1C1CC1
InChIInChI=1S/C16H23NO2/c1-12(2)9-17(11-16(18)19)10-14-5-3-4-6-15(14)13-7-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyMOANZCGZMVHYON-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds7

About 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid

2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid (PubChem CID 79982333) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid
PubChem CID79982333
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)Cc1ccccc1C1CC1
InChIInChI=1S/C16H23NO2/c1-12(2)9-17(11-16(18)19)10-14-5-3-4-6-15(14)13-7-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyMOANZCGZMVHYON-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclopropylphenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 79982952
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064878
2-[7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl(2-methylpropyl)amino]acetic acid
CID 66418561
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
2-[(2-fluoro-5-methylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 114055345
3-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909271
3-[carboxymethyl-[(2-cyanophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327942
2-[(5-bromo-2-methoxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065906
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid (CID 79982333) is 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)Cc1ccccc1C1CC1.
What is the InChIKey of 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is MOANZCGZMVHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)9-17(11-16(18)19)10-14-5-3-4-6-15(14)13-7-8-13/h3-6,12-13H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid?
2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropylphenyl)methyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79982333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).