2-aminoethyl propanoate;cyclopropane

C8H17NO2 — CID 174936306

IUPAC2-aminoethyl propanoate;cyclopropane
SMILESC1CC1.CCC(=O)OCCN
InChIInChI=1S/C5H11NO2.C3H6/c1-2-5(7)8-4-3-6;1-2-3-1/h2-4,6H2,1H3;1-3H2
InChIKeyZEDRFZNEQALEEQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds3

About 2-aminoethyl propanoate;cyclopropane

2-aminoethyl propanoate;cyclopropane (PubChem CID 174936306) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-aminoethyl propanoate;cyclopropane.

Molecular Properties

Compound Name2-aminoethyl propanoate;cyclopropane
PubChem CID174936306
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-aminoethyl propanoate;cyclopropane
SMILESC1CC1.CCC(=O)OCCN
InChIInChI=1S/C5H11NO2.C3H6/c1-2-5(7)8-4-3-6;1-2-3-1/h2-4,6H2,1H3;1-3H2
InChIKeyZEDRFZNEQALEEQ-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethyl propanoate;zinc
CID 175266115
3-aminopropyl propanoate;hydrochloride
CID 91621397
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
bis(2-aminoethyl) butanedioate
CID 12073124
2-tellanylethyl propanoate
CID 174440561
ethane-1,2-diamine;propanoic acid
CID 87882267
ethane-1,2-diamine;propanoic acid
CID 87109633
3-O-(2-aminoethyl) 1-O-methyl propanedioate
CID 57313021
(3-amino-3-oxopropyl) propanoate
CID 54518941
2-piperidin-4-ylethyl propanoate
CID 53408774

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl propanoate;cyclopropane?
The IUPAC name of 2-aminoethyl propanoate;cyclopropane (CID 174936306) is 2-aminoethyl propanoate;cyclopropane.
What is the SMILES notation for 2-aminoethyl propanoate;cyclopropane?
The canonical SMILES for 2-aminoethyl propanoate;cyclopropane is C1CC1.CCC(=O)OCCN.
What is the InChIKey of 2-aminoethyl propanoate;cyclopropane?
The InChIKey is ZEDRFZNEQALEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C3H6/c1-2-5(7)8-4-3-6;1-2-3-1/h2-4,6H2,1H3;1-3H2.
What are the key properties of 2-aminoethyl propanoate;cyclopropane?
2-aminoethyl propanoate;cyclopropane has a molecular weight of 159.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl propanoate;cyclopropane is sourced from PubChem (CID 174936306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).