ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate

C10H19NO4 — CID 163832541

IUPACethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate
SMILESCC/C=C\CC(O)OC(N)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-5-6-7-8(12)15-9(11)10(13)14-4-2/h5-6,8-9,12H,3-4,7,11H2,1-2H3/b6-5-
InChIKeyOEXALZIYZWILNH-WAYWQWQTSA-N
MW217.26 g/mol
LogP0.53
Rot. Bonds7

About ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate

ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate (PubChem CID 163832541) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate
PubChem CID163832541
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate
SMILESCC/C=C\CC(O)OC(N)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-5-6-7-8(12)15-9(11)10(13)14-4-2/h5-6,8-9,12H,3-4,7,11H2,1-2H3/b6-5-
InChIKeyOEXALZIYZWILNH-WAYWQWQTSA-N
XLogP0.53
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
ethyl (4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaenoate
CID 59187756
ethyl (4E,8Z,11Z,14Z,17Z)-2-propylicosa-4,8,11,14,17-pentaenoate
CID 59187782
ethyl 2-methylsulfinyldocosa-4,7,10,13,16,19-hexaenoate
CID 76587937
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl 2-propyloct-5-enoate
CID 140550038
ethyl (4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaenoate
CID 59187798
ethyl 2-propoxyicosa-4,8,11,14,17-pentaenoate
CID 72538088
ethyl 2-hydroxy-4-oxobutanoate
CID 78382664
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
ethyl (Z)-pent-2-enoate
CID 11332473
carbamic acid;(Z)-hex-3-ene
CID 158256779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate?
The IUPAC name of ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate (CID 163832541) is ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate.
What is the SMILES notation for ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate?
The canonical SMILES for ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate is CC/C=C\CC(O)OC(N)C(=O)OCC.
What is the InChIKey of ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate?
The InChIKey is OEXALZIYZWILNH-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-5-6-7-8(12)15-9(11)10(13)14-4-2/h5-6,8-9,12H,3-4,7,11H2,1-2H3/b6-5-.
What are the key properties of ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate?
ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate has a molecular weight of 217.26 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[(Z)-1-hydroxyhex-3-enoxy]acetate is sourced from PubChem (CID 163832541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).