ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate

C13H23NO4 — CID 55214308

IUPACethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
SMILESCCOC(=O)C(CCOC1CCOC1)NC1CC1
InChIInChI=1S/C13H23NO4/c1-2-17-13(15)12(14-10-3-4-10)6-8-18-11-5-7-16-9-11/h10-12,14H,2-9H2,1H3
InChIKeyDHLFYZZFLFBEGM-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.87
Rot. Bonds8

About ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate

ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate (PubChem CID 55214308) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
PubChem CID55214308
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate
SMILESCCOC(=O)C(CCOC1CCOC1)NC1CC1
InChIInChI=1S/C13H23NO4/c1-2-17-13(15)12(14-10-3-4-10)6-8-18-11-5-7-16-9-11/h10-12,14H,2-9H2,1H3
InChIKeyDHLFYZZFLFBEGM-UHFFFAOYSA-N
XLogP0.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292
ethyl 2-(ethylamino)-4-(oxetan-3-yloxy)butanoate
CID 102607501
2-(methylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63557695
ethyl 4-(oxetan-3-yloxy)-2-(propylamino)butanoate
CID 102607607
2-(cyclopropylamino)-4-(4-methylcyclohexyl)oxybutanamide
CID 63040789
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
ethyl 2-(cyclopropylamino)-4-methylsulfanylbutanoate
CID 60812555
ethyl 2-(cyclopropylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanoate
CID 66274848
3-propoxyoxolane
CID 14071397
ethyl 2-(cyclopropylamino)-4-ethylsulfanylbutanoate
CID 63035698
ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate (CID 55214308) is ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate is CCOC(=O)C(CCOC1CCOC1)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate?
The InChIKey is DHLFYZZFLFBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-17-13(15)12(14-10-3-4-10)6-8-18-11-5-7-16-9-11/h10-12,14H,2-9H2,1H3.
What are the key properties of ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate?
ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate has a molecular weight of 257.33 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)-4-(oxolan-3-yloxy)butanoate is sourced from PubChem (CID 55214308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).