[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate

C9H17NO4 — CID 89207917

IUPAC[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate
SMILESCCC(=O)O/C=C(\N)COCCOC
InChIInChI=1S/C9H17NO4/c1-3-9(11)14-7-8(10)6-13-5-4-12-2/h7H,3-6,10H2,1-2H3/b8-7-
InChIKeyUVZHZSNXTOQKAP-FPLPWBNLSA-N
MW203.24 g/mol
LogP0.40
Rot. Bonds7

About [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate

[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate (PubChem CID 89207917) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate
PubChem CID89207917
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate
SMILESCCC(=O)O/C=C(\N)COCCOC
InChIInChI=1S/C9H17NO4/c1-3-9(11)14-7-8(10)6-13-5-4-12-2/h7H,3-6,10H2,1-2H3/b8-7-
InChIKeyUVZHZSNXTOQKAP-FPLPWBNLSA-N
XLogP0.40
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
[(Z)-2-methyl-3-propanoyloxyprop-2-enyl] propanoate
CID 146216360
ethenyl 2-(2-methoxyethoxy)acetate
CID 22382804
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
CID 88598510
2-(2-propanoyloxyethoxy)acetic acid
CID 171607283
butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703098
butyl 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91703100
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate?
The IUPAC name of [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate (CID 89207917) is [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate.
What is the SMILES notation for [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate?
The canonical SMILES for [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate is CCC(=O)O/C=C(\N)COCCOC.
What is the InChIKey of [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate?
The InChIKey is UVZHZSNXTOQKAP-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-9(11)14-7-8(10)6-13-5-4-12-2/h7H,3-6,10H2,1-2H3/b8-7-.
What are the key properties of [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate?
[(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate has a molecular weight of 203.24 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-amino-3-(2-methoxyethoxy)prop-1-enyl] propanoate is sourced from PubChem (CID 89207917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).