3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid

C11H21NO3 — CID 63939336

IUPAC3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(7-9-5-6-9)8-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLYPXKMAFMMBYTQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds8

About 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid

3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid (PubChem CID 63939336) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
PubChem CID63939336
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid
SMILESCCOC(CN(CC)CC1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(7-9-5-6-9)8-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyLYPXKMAFMMBYTQ-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
3-[cyclopentyl(methyl)amino]-2-ethoxypropanoic acid
CID 63067910
methyl 2-amino-3-[cyclopropylmethyl(ethyl)amino]propanoate
CID 63955898
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
CID 83819168
2-ethoxy-3-[ethyl(propan-2-yl)amino]propanoic acid
CID 63066872
3-[butan-2-yl(ethyl)amino]-2-ethoxypropanoic acid
CID 63068258
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
(2R)-2-ethoxybutanedioic acid
CID 101245963
ethyl 3-[cyclobutylmethyl(ethyl)amino]-2-(methylamino)propanoate
CID 107401021

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid (CID 63939336) is 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid is CCOC(CN(CC)CC1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid?
The InChIKey is LYPXKMAFMMBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(7-9-5-6-9)8-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid?
3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-2-ethoxypropanoic acid is sourced from PubChem (CID 63939336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).