ethyl 3-(cyclopropylamino)-4-oxopentanoate

C10H17NO3 — CID 82322186

IUPACethyl 3-(cyclopropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC1CC1)C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)6-9(7(2)12)11-8-4-5-8/h8-9,11H,3-6H2,1-2H3
InChIKeyPCYFHHOVPPARRW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.65
Rot. Bonds6

About ethyl 3-(cyclopropylamino)-4-oxopentanoate

ethyl 3-(cyclopropylamino)-4-oxopentanoate (PubChem CID 82322186) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)-4-oxopentanoate
PubChem CID82322186
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-(cyclopropylamino)-4-oxopentanoate
SMILESCCOC(=O)CC(NC1CC1)C(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)6-9(7(2)12)11-8-4-5-8/h8-9,11H,3-6H2,1-2H3
InChIKeyPCYFHHOVPPARRW-UHFFFAOYSA-N
XLogP0.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)-4-oxopentanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)-4-oxopentanoate (CID 82322186) is ethyl 3-(cyclopropylamino)-4-oxopentanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)-4-oxopentanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)-4-oxopentanoate is CCOC(=O)CC(NC1CC1)C(C)=O.
What is the InChIKey of ethyl 3-(cyclopropylamino)-4-oxopentanoate?
The InChIKey is PCYFHHOVPPARRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)6-9(7(2)12)11-8-4-5-8/h8-9,11H,3-6H2,1-2H3.
What are the key properties of ethyl 3-(cyclopropylamino)-4-oxopentanoate?
ethyl 3-(cyclopropylamino)-4-oxopentanoate has a molecular weight of 199.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)-4-oxopentanoate is sourced from PubChem (CID 82322186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).