methyl (2R)-3-amino-2-methylpropanoate;hydrochloride

C5H12ClNO2 — CID 86749859

IUPACmethyl (2R)-3-amino-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](C)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
InChIKeyRVPWGKBKRYTOHJ-PGMHMLKASA-N
MW153.61 g/mol
LogP0.18
Rot. Bonds2

About methyl (2R)-3-amino-2-methylpropanoate;hydrochloride

methyl (2R)-3-amino-2-methylpropanoate;hydrochloride (PubChem CID 86749859) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is methyl (2R)-3-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-3-amino-2-methylpropanoate;hydrochloride
PubChem CID86749859
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namemethyl (2R)-3-amino-2-methylpropanoate;hydrochloride
SMILESCOC(=O)[C@H](C)CN.Cl
InChIInChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1
InChIKeyRVPWGKBKRYTOHJ-PGMHMLKASA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-3-amino-2-methylpropanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Azaniumyl-2-methylpropanoate
CID 25201103
(2S)-3-azaniumyl-2-methylpropanoate
CID 6971062
beta-Alanine, ethyl ester, hydrochloride
CID 458475
Methyl 3-aminopropanoate hydrochloride
CID 2734767
Methyl 2-methyl-3-(methylamino)propanoate
CID 13129055
(2R)-3-ammonio-2-methylpropanoate
CID 6971064
Methyl beta-alanate
CID 192794
Ethyl 3-aminopropanoate
CID 419889
Methyl 3-amino-2-methylpropanoate
CID 10486829
(S)-3-Aminoisobutyrate
CID 5460213
(3-Ethoxy-3-oxopropyl)azanium chloride
CID 10855676
Methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of methyl (2R)-3-amino-2-methylpropanoate;hydrochloride (CID 86749859) is methyl (2R)-3-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-3-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-3-amino-2-methylpropanoate;hydrochloride is COC(=O)[C@H](C)CN.Cl.
What is the InChIKey of methyl (2R)-3-amino-2-methylpropanoate;hydrochloride?
The InChIKey is RVPWGKBKRYTOHJ-PGMHMLKASA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c1-4(3-6)5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m1./s1.
What are the key properties of methyl (2R)-3-amino-2-methylpropanoate;hydrochloride?
methyl (2R)-3-amino-2-methylpropanoate;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 86749859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).