ethyl 2-(propan-2-ylamino)acetate;hydrochloride

C7H16ClNO2 — CID 44891063

IUPACethyl 2-(propan-2-ylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-7(9)5-8-6(2)3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyABTRDXFEQPOYTG-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.97
Rot. Bonds4

About ethyl 2-(propan-2-ylamino)acetate;hydrochloride

ethyl 2-(propan-2-ylamino)acetate;hydrochloride (PubChem CID 44891063) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)acetate;hydrochloride
PubChem CID44891063
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-(propan-2-ylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC(C)C.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-4-10-7(9)5-8-6(2)3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyABTRDXFEQPOYTG-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl N-methylaminoacetate hydrochloride
CID 171173
Ethyl 2-(ethylamino)acetate
CID 12591597
Ethyl 2-((propan-2-yl)amino)acetate
CID 351625
(S)-2-(Methylamino)propanoic acid methyl ester
CID 11040900
Ethyl 2-(propylamino)acetate
CID 13454968
Glycine, N-cyclopropyl-, ethyl ester
CID 22476174
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Methyl 2-((butan-2-yl)amino)acetate
CID 43177489
ethyl N-acetyl-l-alaninate
CID 11805045
Ethyl 2-(tert-butylamino)acetate
CID 2777441
Ethyl 2-(isobutylamino)acetate
CID 10877410
Tert-butyl 2-((propan-2-yl)amino)acetate
CID 11469352

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(propan-2-ylamino)acetate;hydrochloride (CID 44891063) is ethyl 2-(propan-2-ylamino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(propan-2-ylamino)acetate;hydrochloride is CCOC(=O)CNC(C)C.Cl.
What is the InChIKey of ethyl 2-(propan-2-ylamino)acetate;hydrochloride?
The InChIKey is ABTRDXFEQPOYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-4-10-7(9)5-8-6(2)3;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of ethyl 2-(propan-2-ylamino)acetate;hydrochloride?
ethyl 2-(propan-2-ylamino)acetate;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylamino)acetate;hydrochloride is sourced from PubChem (CID 44891063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).