ethyl 2-amino-2-hydroxyacetate;hydrochloride

C4H10ClNO3 — CID 88745536

IUPACethyl 2-amino-2-hydroxyacetate;hydrochloride
SMILESCCOC(=O)C(N)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2-8-4(7)3(5)6;/h3,6H,2,5H2,1H3;1H
InChIKeyKTIIKJCUROOAKJ-UHFFFAOYSA-N
MW155.58 g/mol
LogP-0.75
Rot. Bonds2

About ethyl 2-amino-2-hydroxyacetate;hydrochloride

ethyl 2-amino-2-hydroxyacetate;hydrochloride (PubChem CID 88745536) has the molecular formula C4H10ClNO3 and a molecular weight of 155.58 g/mol. Its IUPAC name is ethyl 2-amino-2-hydroxyacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-hydroxyacetate;hydrochloride
PubChem CID88745536
Molecular FormulaC4H10ClNO3
Molecular Weight155.58 g/mol
Exact Mass155.03
IUPAC Nameethyl 2-amino-2-hydroxyacetate;hydrochloride
SMILESCCOC(=O)C(N)O.Cl
InChIInChI=1S/C4H9NO3.ClH/c1-2-8-4(7)3(5)6;/h3,6H,2,5H2,1H3;1H
InChIKeyKTIIKJCUROOAKJ-UHFFFAOYSA-N
XLogP-0.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
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CID 141039771
ethyl acetate;dihydrochloride
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ethyl 2-hydroxybutanoate
CID 521365
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
ethyl 2-chloro-2-hydroxyacetate
CID 19966506
ethyl (2R,3S)-2-fluoro-3-hydroxybutanoate
CID 97048138
ethyl (2R,4S)-4-hydroxy-2-methylpentanoate
CID 163005989
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-hydroxyacetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-hydroxyacetate;hydrochloride (CID 88745536) is ethyl 2-amino-2-hydroxyacetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-hydroxyacetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-hydroxyacetate;hydrochloride is CCOC(=O)C(N)O.Cl.
What is the InChIKey of ethyl 2-amino-2-hydroxyacetate;hydrochloride?
The InChIKey is KTIIKJCUROOAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.ClH/c1-2-8-4(7)3(5)6;/h3,6H,2,5H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-hydroxyacetate;hydrochloride?
ethyl 2-amino-2-hydroxyacetate;hydrochloride has a molecular weight of 155.58 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-hydroxyacetate;hydrochloride is sourced from PubChem (CID 88745536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).