4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid

C11H21NO3 — CID 63069124

IUPAC4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)C1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(9-5-6-9)8-7-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXHGCMINXMMKTGC-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds8

About 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid

4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid (PubChem CID 63069124) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
PubChem CID63069124
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)C1CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(9-5-6-9)8-7-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXHGCMINXMMKTGC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanoic acid
CID 63027479
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
2-ethoxy-4-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 63068837
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid (CID 63069124) is 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(CC)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid?
The InChIKey is XHGCMINXMMKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(9-5-6-9)8-7-10(11(13)14)15-4-2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid?
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 63069124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).