ethyl 3-(cyclopropylamino)-4-methylpentanoate

C11H21NO2 — CID 102538604

IUPACethyl 3-(cyclopropylamino)-4-methylpentanoate
SMILESCCOC(=O)CC(NC1CC1)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)7-10(8(2)3)12-9-5-6-9/h8-10,12H,4-7H2,1-3H3
InChIKeyKANCTFDYYMBFAR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds6

About ethyl 3-(cyclopropylamino)-4-methylpentanoate

ethyl 3-(cyclopropylamino)-4-methylpentanoate (PubChem CID 102538604) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)-4-methylpentanoate
PubChem CID102538604
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 3-(cyclopropylamino)-4-methylpentanoate
SMILESCCOC(=O)CC(NC1CC1)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)7-10(8(2)3)12-9-5-6-9/h8-10,12H,4-7H2,1-3H3
InChIKeyKANCTFDYYMBFAR-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)-4-methylpentanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)-4-methylpentanoate (CID 102538604) is ethyl 3-(cyclopropylamino)-4-methylpentanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)-4-methylpentanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)-4-methylpentanoate is CCOC(=O)CC(NC1CC1)C(C)C.
What is the InChIKey of ethyl 3-(cyclopropylamino)-4-methylpentanoate?
The InChIKey is KANCTFDYYMBFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(13)7-10(8(2)3)12-9-5-6-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-(cyclopropylamino)-4-methylpentanoate?
ethyl 3-(cyclopropylamino)-4-methylpentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)-4-methylpentanoate is sourced from PubChem (CID 102538604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).