2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid

C14H19NO3 — CID 65057571

IUPAC2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)C2CC2)cc(C)c1O
InChIInChI=1S/C14H19NO3/c1-9-5-11(6-10(2)14(9)18)7-15(8-13(16)17)12-3-4-12/h5-6,12,18H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTVTJACZYIGQEPO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.06
Rot. Bonds5

About 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid

2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid (PubChem CID 65057571) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
PubChem CID65057571
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
SMILESCc1cc(CN(CC(=O)O)C2CC2)cc(C)c1O
InChIInChI=1S/C14H19NO3/c1-9-5-11(6-10(2)14(9)18)7-15(8-13(16)17)12-3-4-12/h5-6,12,18H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyTVTJACZYIGQEPO-UHFFFAOYSA-N
XLogP2.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclohexyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 4916282
4-[[cyclohexyl(ethyl)amino]methyl]-2,6-dimethylphenol
CID 78907248
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490
2-[cyclopropyl(pyridin-4-ylmethyl)amino]acetic acid;dihydrochloride
CID 132891596
2-[cyclopropyl-[(1-ethylpyrazol-4-yl)methyl]amino]acetic acid
CID 62125880
2-[N-[(4-hydroxy-3,5-dimethylphenyl)methyl]anilino]acetic acid
CID 65059194
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
4-[[cyclopropyl(piperidin-2-ylmethyl)amino]methyl]-2,6-dimethylphenol
CID 106621618
2-[(7-chloro-1,3-benzodioxol-5-yl)methyl-cyclopropylamino]acetic acid
CID 54945077
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
2-[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)amino]acetic acid
CID 65058170

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid (CID 65057571) is 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid is Cc1cc(CN(CC(=O)O)C2CC2)cc(C)c1O.
What is the InChIKey of 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid?
The InChIKey is TVTJACZYIGQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-5-11(6-10(2)14(9)18)7-15(8-13(16)17)12-3-4-12/h5-6,12,18H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid?
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65057571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).