ethyl 3-(cyclopropylamino)propanoate

C8H15NO2 — CID 13456042

IUPACethyl 3-(cyclopropylamino)propanoate
SMILESCCOC(=O)CCNC1CC1
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3
InChIKeyZRPBEAVKOMELBB-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds5

About ethyl 3-(cyclopropylamino)propanoate

ethyl 3-(cyclopropylamino)propanoate (PubChem CID 13456042) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 3-(cyclopropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylamino)propanoate
PubChem CID13456042
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 3-(cyclopropylamino)propanoate
SMILESCCOC(=O)CCNC1CC1
InChIInChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3
InChIKeyZRPBEAVKOMELBB-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-(methylamino)propanoate
CID 541480
Methyl 3-[(propan-2-yl)amino]propanoate
CID 12774812
Ethyl 3-((propan-2-yl)amino)propanoate
CID 12636111
Diethyl 3,3'-Iminodipropionate
CID 352310
Ethyl N-ethyl-beta-alaninate
CID 90223
Ethyl 3-(methylamino)butanoate
CID 10396954
N-Cyclopropyl-beta-alanine methyl ester
CID 13041902
Ethyl 3-[(cyclopropylmethyl)amino]propanoate
CID 15428818
Ethyl 2-(cyclopropylamino)propanoate
CID 20213381
Ethyl 3-(cyclopropylamino)-2-methylpropanoate
CID 61717320
Ethyl 3-(propylamino)butanoate
CID 242423
Ethyl 3-(tert-butylamino)propanoate
CID 3804063

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopropylamino)propanoate (CID 13456042) is ethyl 3-(cyclopropylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopropylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopropylamino)propanoate is CCOC(=O)CCNC1CC1.
What is the InChIKey of ethyl 3-(cyclopropylamino)propanoate?
The InChIKey is ZRPBEAVKOMELBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3.
What are the key properties of ethyl 3-(cyclopropylamino)propanoate?
ethyl 3-(cyclopropylamino)propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylamino)propanoate is sourced from PubChem (CID 13456042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).