2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid

C13H19NO3 — CID 65263874

IUPAC2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
SMILESCCOc1ccc(CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-11-7-5-10(6-8-11)9-14-13(2,3)12(15)16/h5-8,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyJLJZCFJZZXRFEE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.04
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid

2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid (PubChem CID 65263874) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
PubChem CID65263874
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
SMILESCCOc1ccc(CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-4-17-11-7-5-10(6-8-11)9-14-13(2,3)12(15)16/h5-8,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyJLJZCFJZZXRFEE-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 115127961
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
4-[[(4-ethoxyphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458588
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
2-methyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 61221118
2-[(4-ethoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61261369
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid (CID 65263874) is 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid is CCOc1ccc(CNC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid?
The InChIKey is JLJZCFJZZXRFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-11-7-5-10(6-8-11)9-14-13(2,3)12(15)16/h5-8,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid?
2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65263874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).