methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride

C5H11ClN2O3 — CID 87710370

IUPACmethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)C(N)=O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-5(7,3(6)8)4(9)10-2;/h7H2,1-2H3,(H2,6,8);1H/t5-;/m1./s1
InChIKeyUNISCIMNUYFOTB-NUBCRITNSA-N
MW182.61 g/mol
LogP-1.22
Rot. Bonds2

About methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride

methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride (PubChem CID 87710370) has the molecular formula C5H11ClN2O3 and a molecular weight of 182.61 g/mol. Its IUPAC name is methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
PubChem CID87710370
Molecular FormulaC5H11ClN2O3
Molecular Weight182.61 g/mol
Exact Mass182.05
IUPAC Namemethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride
SMILESCOC(=O)[C@](C)(N)C(N)=O.Cl
InChIInChI=1S/C5H10N2O3.ClH/c1-5(7,3(6)8)4(9)10-2;/h7H2,1-2H3,(H2,6,8);1H/t5-;/m1./s1
InChIKeyUNISCIMNUYFOTB-NUBCRITNSA-N
XLogP-1.22
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
CID 87710360
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl 3-amino-3-imino-2,2-dimethylpropanoate;hydrochloride
CID 170558694
methyl 2-amino-2-methylselanylpropanoate
CID 141138215
dimethyl 2-(aminomethyl)-2-methylpropanedioate;hydrochloride
CID 146155521
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
CID 3507009

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride (CID 87710370) is methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride is COC(=O)[C@](C)(N)C(N)=O.Cl.
What is the InChIKey of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride?
The InChIKey is UNISCIMNUYFOTB-NUBCRITNSA-N. The full InChI is InChI=1S/C5H10N2O3.ClH/c1-5(7,3(6)8)4(9)10-2;/h7H2,1-2H3,(H2,6,8);1H/t5-;/m1./s1.
What are the key properties of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride?
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate;hydrochloride is sourced from PubChem (CID 87710370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).