2-(ethylamino)-2-oxoacetic acid;hydrochloride

C4H8ClNO3 — CID 87148402

IUPAC2-(ethylamino)-2-oxoacetic acid;hydrochloride
SMILESCCNC(=O)C(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-2-5-3(6)4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);1H
InChIKeyJXSPIJOSXIQNQN-UHFFFAOYSA-N
MW153.56 g/mol
LogP-0.37
Rot. Bonds1

About 2-(ethylamino)-2-oxoacetic acid;hydrochloride

2-(ethylamino)-2-oxoacetic acid;hydrochloride (PubChem CID 87148402) has the molecular formula C4H8ClNO3 and a molecular weight of 153.56 g/mol. Its IUPAC name is 2-(ethylamino)-2-oxoacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)-2-oxoacetic acid;hydrochloride
PubChem CID87148402
Molecular FormulaC4H8ClNO3
Molecular Weight153.56 g/mol
Exact Mass153.02
IUPAC Name2-(ethylamino)-2-oxoacetic acid;hydrochloride
SMILESCCNC(=O)C(=O)O.Cl
InChIInChI=1S/C4H7NO3.ClH/c1-2-5-3(6)4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);1H
InChIKeyJXSPIJOSXIQNQN-UHFFFAOYSA-N
XLogP-0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.56
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,3,3-trihydroxyprop-2-enamide
CID 161274596
2-(methylaminomethylamino)-2-oxoacetic acid
CID 117126335
N-ethylacetamide;hydrochloride
CID 87177071
ethylcarbamic acid;yttrium
CID 147921444
2-(2-methylbutylamino)-2-oxoacetic acid
CID 62693347
3-(oxaloamino)propanoic acid;hydrochloride
CID 89155811
2-oxo-2-(1,1,2,2,2-pentadeuterioethylamino)acetic acid
CID 131708836
(E)-N-ethyl-2-methylbut-2-enamide
CID 22451134
N-ethyl-2-fluoroprop-2-enamide
CID 138502811
ethylcarbamic acid;molecular hydrogen
CID 142924584
2-(aminomethylamino)-2-oxoacetic acid
CID 117126334
ethane;(E,2E)-N-ethyl-2-ethylidene-3-hydroxypent-3-enamide
CID 142274117

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-oxoacetic acid;hydrochloride?
The IUPAC name of 2-(ethylamino)-2-oxoacetic acid;hydrochloride (CID 87148402) is 2-(ethylamino)-2-oxoacetic acid;hydrochloride.
What is the SMILES notation for 2-(ethylamino)-2-oxoacetic acid;hydrochloride?
The canonical SMILES for 2-(ethylamino)-2-oxoacetic acid;hydrochloride is CCNC(=O)C(=O)O.Cl.
What is the InChIKey of 2-(ethylamino)-2-oxoacetic acid;hydrochloride?
The InChIKey is JXSPIJOSXIQNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3.ClH/c1-2-5-3(6)4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);1H.
What are the key properties of 2-(ethylamino)-2-oxoacetic acid;hydrochloride?
2-(ethylamino)-2-oxoacetic acid;hydrochloride has a molecular weight of 153.56 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-oxoacetic acid;hydrochloride is sourced from PubChem (CID 87148402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).