ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate

C17H33NO3 — CID 63039838

IUPACethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
SMILESCCCCC(CC)COCCC(NC1CC1)C(=O)OCC
InChIInChI=1S/C17H33NO3/c1-4-7-8-14(5-2)13-20-12-11-16(17(19)21-6-3)18-15-9-10-15/h14-16,18H,4-13H2,1-3H3
InChIKeyOZQJCZXUCHMPJW-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.29
Rot. Bonds13

About ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate

ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate (PubChem CID 63039838) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
PubChem CID63039838
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nameethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate
SMILESCCCCC(CC)COCCC(NC1CC1)C(=O)OCC
InChIInChI=1S/C17H33NO3/c1-4-7-8-14(5-2)13-20-12-11-16(17(19)21-6-3)18-15-9-10-15/h14-16,18H,4-13H2,1-3H3
InChIKeyOZQJCZXUCHMPJW-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoic acid
CID 55144725
ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66274848
4-(2-butoxyethoxy)-2-(cyclopropylamino)butanoic acid
CID 63040953
2-[2-(2-ethylhexoxy)ethoxy]ethyl 2-methylbutanoate
CID 88869563
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440
ethyl 2-(cyclohexylamino)nonanoate
CID 63524115
N-[5-(2-ethylhexoxy)pentyl]cyclopropanamine
CID 62457946
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
ethyl 2-amino-2-cyclopropyl-3-(2-ethylhexoxy)propanoate
CID 63919943

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate (CID 63039838) is ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate is CCCCC(CC)COCCC(NC1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate?
The InChIKey is OZQJCZXUCHMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-4-7-8-14(5-2)13-20-12-11-16(17(19)21-6-3)18-15-9-10-15/h14-16,18H,4-13H2,1-3H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate?
ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate has a molecular weight of 299.45 g/mol, XLogP of 3.29, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(2-ethylhexoxy)butanoate is sourced from PubChem (CID 63039838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).