3-amino-2-ethoxypent-2-enoic acid;hydrochloride

C7H14ClNO3 — CID 142666120

IUPAC3-amino-2-ethoxypent-2-enoic acid;hydrochloride
SMILESCCOC(C(=O)O)=C(N)CC.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-3-5(8)6(7(9)10)11-4-2;/h3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyYXCXJRCNTJUADC-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.11
Rot. Bonds4

About 3-amino-2-ethoxypent-2-enoic acid;hydrochloride

3-amino-2-ethoxypent-2-enoic acid;hydrochloride (PubChem CID 142666120) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-amino-2-ethoxypent-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-ethoxypent-2-enoic acid;hydrochloride
PubChem CID142666120
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name3-amino-2-ethoxypent-2-enoic acid;hydrochloride
SMILESCCOC(C(=O)O)=C(N)CC.Cl
InChIInChI=1S/C7H13NO3.ClH/c1-3-5(8)6(7(9)10)11-4-2;/h3-4,8H2,1-2H3,(H,9,10);1H
InChIKeyYXCXJRCNTJUADC-UHFFFAOYSA-N
XLogP1.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-ethoxypent-2-enoic acid
CID 142666121
2-ethoxy-3,4-dimethylpent-2-enoic acid
CID 87806016
ethyl carbamate;propanoic acid
CID 158069728
ethyl carbamate
CID 21202847
ethyl carbamate
CID 161409576
ethyl carbamate
CID 158786750
acetic acid;ethyl carbamate
CID 157349378
ethyl hydrogen carbonate;sulfane
CID 174718172
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;dihydrochloride
CID 21477582
ethyl carbamate;platinum
CID 174699937
CID 131876272
CID 131876272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethoxypent-2-enoic acid;hydrochloride?
The IUPAC name of 3-amino-2-ethoxypent-2-enoic acid;hydrochloride (CID 142666120) is 3-amino-2-ethoxypent-2-enoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-ethoxypent-2-enoic acid;hydrochloride?
The canonical SMILES for 3-amino-2-ethoxypent-2-enoic acid;hydrochloride is CCOC(C(=O)O)=C(N)CC.Cl.
What is the InChIKey of 3-amino-2-ethoxypent-2-enoic acid;hydrochloride?
The InChIKey is YXCXJRCNTJUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c1-3-5(8)6(7(9)10)11-4-2;/h3-4,8H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-amino-2-ethoxypent-2-enoic acid;hydrochloride?
3-amino-2-ethoxypent-2-enoic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethoxypent-2-enoic acid;hydrochloride is sourced from PubChem (CID 142666120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).