3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid

C11H23NO3 — CID 114941755

IUPAC3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
SMILESCCOC(C)(C)CNCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-15-11(4,5)8-12-7-10(2,3)9(13)14/h12H,6-8H2,1-5H3,(H,13,14)
InChIKeyQRZYOSFJRALVFU-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.50
Rot. Bonds7

About 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid

3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 114941755) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
PubChem CID114941755
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
SMILESCCOC(C)(C)CNCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-6-15-11(4,5)8-12-7-10(2,3)9(13)14/h12H,6-8H2,1-5H3,(H,13,14)
InChIKeyQRZYOSFJRALVFU-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
3-[(2-ethyl-2-hydroxybutyl)amino]-2,2-dimethylpropanoic acid
CID 79623675
2,2-dimethyl-3-(2,2,2-trifluoroethylamino)propanoic acid
CID 79629822
2-[(2-ethoxy-2-methylpropyl)amino]-N,N-diethylacetamide
CID 114942112
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethylacetamide
CID 114942015
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
2-[(2-ethoxy-2-methylpropyl)amino]-N-ethyl-N-methylacetamide
CID 114941885
2-ethoxy-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 114941725
2-[(2-ethoxy-2-methylpropyl)amino]-N-propylacetamide
CID 114941785
3-[(4-ethoxyphenyl)methylamino]-2,2-dimethylpropanoic acid
CID 115136553
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid (CID 114941755) is 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid is CCOC(C)(C)CNCC(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is QRZYOSFJRALVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-15-11(4,5)8-12-7-10(2,3)9(13)14/h12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114941755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).