2-cyclopropylethyl 3-(methylamino)propanoate

C9H17NO2 — CID 106202569

IUPAC2-cyclopropylethyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OCCC1CC1
InChIInChI=1S/C9H17NO2/c1-10-6-4-9(11)12-7-5-8-2-3-8/h8,10H,2-7H2,1H3
InChIKeySEIBLSKQQQLYKL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds6

About 2-cyclopropylethyl 3-(methylamino)propanoate

2-cyclopropylethyl 3-(methylamino)propanoate (PubChem CID 106202569) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-cyclopropylethyl 3-(methylamino)propanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 3-(methylamino)propanoate
PubChem CID106202569
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-cyclopropylethyl 3-(methylamino)propanoate
SMILESCNCCC(=O)OCCC1CC1
InChIInChI=1S/C9H17NO2/c1-10-6-4-9(11)12-7-5-8-2-3-8/h8,10H,2-7H2,1H3
InChIKeySEIBLSKQQQLYKL-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-[(cyclopropylmethyl)amino]propanoate
CID 15428818
Ethyl 3-(cyclopropylamino)-2-methylpropanoate
CID 61717320
3-Cyclopropylamino-4-methyl-pentanoic acid ethyl ester
CID 102538604
Ethyl 3-[(2-methylpropyl)amino]propanoate
CID 13216308
Pentyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551223
Ethyl 2-(methylaminomethyl)butanoate
CID 23272258
Ethyl 3-[(3-methylbutyl)amino]propanoate
CID 43093119
Propyl 2-methyl-3-(propylamino)propanoate
CID 53928706
Butyl 3-(methylamino)propanoate
CID 54515655
(Rac)-3-cyclopropylamino-2-methyl-butanoic acid ethyl ester
CID 57635030
[2-Methyl-3-(methylamino)propyl] 3-methylpentanoate
CID 59450114
Propyl 2-methyl-3-(2-methylbutylamino)propanoate
CID 59594934

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 3-(methylamino)propanoate?
The IUPAC name of 2-cyclopropylethyl 3-(methylamino)propanoate (CID 106202569) is 2-cyclopropylethyl 3-(methylamino)propanoate.
What is the SMILES notation for 2-cyclopropylethyl 3-(methylamino)propanoate?
The canonical SMILES for 2-cyclopropylethyl 3-(methylamino)propanoate is CNCCC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 3-(methylamino)propanoate?
The InChIKey is SEIBLSKQQQLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-6-4-9(11)12-7-5-8-2-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-cyclopropylethyl 3-(methylamino)propanoate?
2-cyclopropylethyl 3-(methylamino)propanoate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 3-(methylamino)propanoate is sourced from PubChem (CID 106202569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).