3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid

C10H21NO3 — CID 63008833

IUPAC3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCOCCCN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-10(2,9(12)13)8-11(3)6-5-7-14-4/h5-8H2,1-4H3,(H,12,13)
InChIKeyDHVROZMEABADLP-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.07
Rot. Bonds7

About 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid

3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 63008833) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
PubChem CID63008833
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
SMILESCOCCCN(C)CC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-10(2,9(12)13)8-11(3)6-5-7-14-4/h5-8H2,1-4H3,(H,12,13)
InChIKeyDHVROZMEABADLP-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
CID 55141472
4-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 66453162
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
4-[3-methoxypropyl(methyl)amino]-2-methyl-2-(methylamino)butanoic acid
CID 63009891
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
CID 79619625
3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624610
3-[(2-hydroxy-2-methylpropyl)-methylamino]-2,2-dimethylpropanoic acid
CID 79621087
3-[1-methoxypropan-2-yl(methyl)amino]-2,2-dimethylpropanoic acid
CID 62271402
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
2-amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propanamide
CID 63925804
2-ethyl-1-N-(3-methoxypropyl)-1-N-methylbutane-1,2-diamine
CID 79814662

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid (CID 63008833) is 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid is COCCCN(C)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is DHVROZMEABADLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,9(12)13)8-11(3)6-5-7-14-4/h5-8H2,1-4H3,(H,12,13).
What are the key properties of 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid?
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 63008833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).