propan-2-yl 2-aminoacetate;hydrochloride

C5H12ClNO2 — CID 23033482

IUPACpropan-2-yl 2-aminoacetate;hydrochloride
SMILESCC(C)OC(=O)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H
InChIKeyUBKCIXXGQRZHRO-UHFFFAOYSA-N
MW153.61 g/mol
LogP0.32
Rot. Bonds2

About propan-2-yl 2-aminoacetate;hydrochloride

propan-2-yl 2-aminoacetate;hydrochloride (PubChem CID 23033482) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is propan-2-yl 2-aminoacetate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-aminoacetate;hydrochloride
PubChem CID23033482
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namepropan-2-yl 2-aminoacetate;hydrochloride
SMILESCC(C)OC(=O)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H
InChIKeyUBKCIXXGQRZHRO-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Ethyl aminoacetate hydrochloride
CID 12175
Glycine tert-butyl ester hydrochloride
CID 2725036
Propyl aminoacetate hydrochloride
CID 2759254
Glycine, butyl ester, hydrochloride (1:1)
CID 83080
L-Alanine isopropyl ester hydrochloride
CID 13089459
2-Aminoethyl acetate hydrochloride
CID 19930857
Pentyl glycinate--hydrogen chloride (1/1)
CID 53399005
(S)-Isopropyl 2-aminopropanoate
CID 13089460
L-Alanine, ethyl ester, hydrochloride (1:1)
CID 2724356

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-aminoacetate;hydrochloride?
The IUPAC name of propan-2-yl 2-aminoacetate;hydrochloride (CID 23033482) is propan-2-yl 2-aminoacetate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-aminoacetate;hydrochloride?
The canonical SMILES for propan-2-yl 2-aminoacetate;hydrochloride is CC(C)OC(=O)CN.Cl.
What is the InChIKey of propan-2-yl 2-aminoacetate;hydrochloride?
The InChIKey is UBKCIXXGQRZHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(2)8-5(7)3-6;/h4H,3,6H2,1-2H3;1H.
What are the key properties of propan-2-yl 2-aminoacetate;hydrochloride?
propan-2-yl 2-aminoacetate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-aminoacetate;hydrochloride is sourced from PubChem (CID 23033482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).