amino 2-ethoxypropanoate

C5H11NO3 — CID 87914402

IUPACamino 2-ethoxypropanoate
SMILESCCOC(C)C(=O)ON
InChIInChI=1S/C5H11NO3/c1-3-8-4(2)5(7)9-6/h4H,3,6H2,1-2H3
InChIKeyJUXPTATUSHBRJR-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.17
Rot. Bonds3

About amino 2-ethoxypropanoate

amino 2-ethoxypropanoate (PubChem CID 87914402) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is amino 2-ethoxypropanoate.

Molecular Properties

Compound Nameamino 2-ethoxypropanoate
PubChem CID87914402
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameamino 2-ethoxypropanoate
SMILESCCOC(C)C(=O)ON
InChIInChI=1S/C5H11NO3/c1-3-8-4(2)5(7)9-6/h4H,3,6H2,1-2H3
InChIKeyJUXPTATUSHBRJR-UHFFFAOYSA-N
XLogP-0.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 21266963
CID 21266963
heptyl 2-ethoxypropanoate
CID 175702782
2-ethoxypropanoic acid;methane
CID 160636954
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
sodium 2-ethoxypropanoate
CID 141029681
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
diethyl 2-(2-ethoxypropanoyl)propanedioate
CID 64532812
cyclopentyl 2-ethoxypropanoate
CID 173270406
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
diamino 2,3-dimethylbutanedioate
CID 22892701

Frequently Asked Questions

What is the IUPAC name of amino 2-ethoxypropanoate?
The IUPAC name of amino 2-ethoxypropanoate (CID 87914402) is amino 2-ethoxypropanoate.
What is the SMILES notation for amino 2-ethoxypropanoate?
The canonical SMILES for amino 2-ethoxypropanoate is CCOC(C)C(=O)ON.
What is the InChIKey of amino 2-ethoxypropanoate?
The InChIKey is JUXPTATUSHBRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-8-4(2)5(7)9-6/h4H,3,6H2,1-2H3.
What are the key properties of amino 2-ethoxypropanoate?
amino 2-ethoxypropanoate has a molecular weight of 133.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-ethoxypropanoate is sourced from PubChem (CID 87914402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).