2-aminoethyl propanoate;zinc

C5H11NO2Zn — CID 175266115

IUPAC2-aminoethyl propanoate;zinc
SMILESCCC(=O)OCCN.[Zn]
InChIInChI=1S/C5H11NO2.Zn/c1-2-5(7)8-4-3-6;/h2-4,6H2,1H3;
InChIKeyGFVMJUNKVCXJMO-UHFFFAOYSA-N
MW182.54 g/mol
LogP-0.10
Rot. Bonds3

About 2-aminoethyl propanoate;zinc

2-aminoethyl propanoate;zinc (PubChem CID 175266115) has the molecular formula C5H11NO2Zn and a molecular weight of 182.54 g/mol. Its IUPAC name is 2-aminoethyl propanoate;zinc.

Molecular Properties

Compound Name2-aminoethyl propanoate;zinc
PubChem CID175266115
Molecular FormulaC5H11NO2Zn
Molecular Weight182.54 g/mol
Exact Mass181.01
IUPAC Name2-aminoethyl propanoate;zinc
SMILESCCC(=O)OCCN.[Zn]
InChIInChI=1S/C5H11NO2.Zn/c1-2-5(7)8-4-3-6;/h2-4,6H2,1H3;
InChIKeyGFVMJUNKVCXJMO-UHFFFAOYSA-N
XLogP-0.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.54
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-aminoethyl propanoate;cyclopropane
CID 174936306
3-aminopropyl propanoate;hydrochloride
CID 91621397
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
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
3-O-(2-aminoethyl) 1-O-methyl propanedioate
CID 57313021
(3-amino-3-oxopropyl) propanoate
CID 54518941
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
pentyl propanoate;hydrofluoride
CID 174645674
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl propanoate;zinc?
The IUPAC name of 2-aminoethyl propanoate;zinc (CID 175266115) is 2-aminoethyl propanoate;zinc.
What is the SMILES notation for 2-aminoethyl propanoate;zinc?
The canonical SMILES for 2-aminoethyl propanoate;zinc is CCC(=O)OCCN.[Zn].
What is the InChIKey of 2-aminoethyl propanoate;zinc?
The InChIKey is GFVMJUNKVCXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.Zn/c1-2-5(7)8-4-3-6;/h2-4,6H2,1H3;.
What are the key properties of 2-aminoethyl propanoate;zinc?
2-aminoethyl propanoate;zinc has a molecular weight of 182.54 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl propanoate;zinc is sourced from PubChem (CID 175266115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).