4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid

C14H27NO3 — CID 78924060

IUPAC4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-18-13(14(16)17)8-10-15(12-5-6-12)9-7-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNIHXRDXPYYCKAV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds10

About 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid

4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid (PubChem CID 78924060) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
PubChem CID78924060
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
SMILESCCOC(CCN(CCC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-18-13(14(16)17)8-10-15(12-5-6-12)9-7-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNIHXRDXPYYCKAV-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
4-[cyclopropyl(furan-2-ylmethyl)amino]-2-ethoxybutanoic acid
CID 63074910
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
3-[cyclopentyl(ethyl)amino]-2-ethoxypropanoic acid
CID 63067576
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
N-(3,3-diethoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 63628424
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
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid (CID 78924060) is 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid is CCOC(CCN(CCC(C)C)C1CC1)C(=O)O.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid?
The InChIKey is NIHXRDXPYYCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-18-13(14(16)17)8-10-15(12-5-6-12)9-7-11(2)3/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid?
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 78924060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).