ethyl 2-(cyclopropylamino)butanoate

C9H17NO2 — CID 60795798

IUPACethyl 2-(cyclopropylamino)butanoate
SMILESCCOC(=O)C(CC)NC1CC1
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12-4-2)10-7-5-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyVOJSSFUYXICTSO-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds5

About ethyl 2-(cyclopropylamino)butanoate

ethyl 2-(cyclopropylamino)butanoate (PubChem CID 60795798) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-(cyclopropylamino)butanoate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylamino)butanoate
PubChem CID60795798
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-(cyclopropylamino)butanoate
SMILESCCOC(=O)C(CC)NC1CC1
InChIInChI=1S/C9H17NO2/c1-3-8(9(11)12-4-2)10-7-5-6-7/h7-8,10H,3-6H2,1-2H3
InChIKeyVOJSSFUYXICTSO-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylamino)butanoate?
The IUPAC name of ethyl 2-(cyclopropylamino)butanoate (CID 60795798) is ethyl 2-(cyclopropylamino)butanoate.
What is the SMILES notation for ethyl 2-(cyclopropylamino)butanoate?
The canonical SMILES for ethyl 2-(cyclopropylamino)butanoate is CCOC(=O)C(CC)NC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylamino)butanoate?
The InChIKey is VOJSSFUYXICTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8(9(11)12-4-2)10-7-5-6-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(cyclopropylamino)butanoate?
ethyl 2-(cyclopropylamino)butanoate has a molecular weight of 171.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylamino)butanoate is sourced from PubChem (CID 60795798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).