3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid

C16H26N2O3 — CID 79621335

IUPAC3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(C(CNCC(C)(C)C(=O)O)N(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,15(19)20)11-17-10-14(18(3)4)12-7-6-8-13(9-12)21-5/h6-9,14,17H,10-11H2,1-5H3,(H,19,20)
InChIKeyDBLQAONLJYPQGC-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.00
Rot. Bonds8

About 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid

3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 79621335) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
PubChem CID79621335
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(C(CNCC(C)(C)C(=O)O)N(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,15(19)20)11-17-10-14(18(3)4)12-7-6-8-13(9-12)21-5/h6-9,14,17H,10-11H2,1-5H3,(H,19,20)
InChIKeyDBLQAONLJYPQGC-UHFFFAOYSA-N
XLogP2.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 51186682
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
(E)-3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]prop-2-enoic acid
CID 103235361
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-methylbut-2-enyl)ethane-1,2-diamine
CID 103605370

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid (CID 79621335) is 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid is COc1cccc(C(CNCC(C)(C)C(=O)O)N(C)C)c1.
What is the InChIKey of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is DBLQAONLJYPQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,15(19)20)11-17-10-14(18(3)4)12-7-6-8-13(9-12)21-5/h6-9,14,17H,10-11H2,1-5H3,(H,19,20).
What are the key properties of 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79621335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).