3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid

C10H21NO3 — CID 79629719

IUPAC3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
SMILESCCOCCCNCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-14-7-5-6-11-8-10(2,3)9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyLLRBFWKWPLRKIO-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.11
Rot. Bonds8

About 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid

3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid (PubChem CID 79629719) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
PubChem CID79629719
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
SMILESCCOCCCNCC(C)(C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-14-7-5-6-11-8-10(2,3)9(12)13/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyLLRBFWKWPLRKIO-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
CID 106305482
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
3-[(2-ethoxy-2-methylpropyl)amino]-2,2-dimethylpropanoic acid
CID 114941755
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
2-(3-ethoxypropylamino)-N-(2-methylbutan-2-yl)acetamide
CID 60672261
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
3-[(4-ethylcyclohexyl)methylamino]-2,2-dimethylpropanoic acid
CID 79623531
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
4-[(3-ethoxypropylamino)methyl]benzoic acid;hydrochloride
CID 17157552

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid (CID 79629719) is 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid is CCOCCCNCC(C)(C)C(=O)O.
What is the InChIKey of 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid?
The InChIKey is LLRBFWKWPLRKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-14-7-5-6-11-8-10(2,3)9(12)13/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid?
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79629719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).