propyl 2-aminoacetate;hydrochloride

C5H12ClNO2 — CID 2759254

IUPACpropyl 2-aminoacetate;hydrochloride
SMILESCCCOC(=O)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
InChIKeyYDBMNSABUROTEK-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds3

About propyl 2-aminoacetate;hydrochloride

propyl 2-aminoacetate;hydrochloride (PubChem CID 2759254) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is propyl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Namepropyl 2-aminoacetate;hydrochloride
PubChem CID2759254
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namepropyl 2-aminoacetate;hydrochloride
SMILESCCCOC(=O)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H
InChIKeyYDBMNSABUROTEK-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glycine ethyl ester
CID 12176
Glycine ethyl ester, hydrochloride
CID 2723640
Glycine methyl ester hydrochloride
CID 122755
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Ethyl 2-aminoacetate, chloride
CID 12175
Glycine tert-butyl ester hydrochloride
CID 2725036
2-aminoethyl Acetate
CID 112720
Glycine, butyl ester, hydrochloride (1:1)
CID 83080
NoName_3047
CID 69236
L-Alanine ethyl ester
CID 76507
ethyl (2S)-2-aminobutanoate hydrochloride
CID 12844024
L-Alanine isopropyl ester hydrochloride
CID 13089459

Frequently Asked Questions

What is the IUPAC name of propyl 2-aminoacetate;hydrochloride?
The IUPAC name of propyl 2-aminoacetate;hydrochloride (CID 2759254) is propyl 2-aminoacetate;hydrochloride.
What is the SMILES notation for propyl 2-aminoacetate;hydrochloride?
The canonical SMILES for propyl 2-aminoacetate;hydrochloride is CCCOC(=O)CN.Cl.
What is the InChIKey of propyl 2-aminoacetate;hydrochloride?
The InChIKey is YDBMNSABUROTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-2-3-8-5(7)4-6;/h2-4,6H2,1H3;1H.
What are the key properties of propyl 2-aminoacetate;hydrochloride?
propyl 2-aminoacetate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 2759254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).