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

C5H10N2O3 — CID 87710360

IUPACmethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
SMILESCOC(=O)[C@](C)(N)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-5(7,3(6)8)4(9)10-2/h7H2,1-2H3,(H2,6,8)/t5-/m1/s1
InChIKeyYIZBLQKDLJUZIW-RXMQYKEDSA-N
MW146.15 g/mol
LogP-1.64
Rot. Bonds2

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

methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate (PubChem CID 87710360) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
PubChem CID87710360
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namemethyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate
SMILESCOC(=O)[C@](C)(N)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-5(7,3(6)8)4(9)10-2/h7H2,1-2H3,(H2,6,8)/t5-/m1/s1
InChIKeyYIZBLQKDLJUZIW-RXMQYKEDSA-N
XLogP-1.64
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.64
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;hydrochloride
CID 87710370
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
methyl (2R)-2-amino-2-bromopropanoate
CID 87903437
methyl 2-amino-2,2-dihydroxyacetate
CID 123538749
methyl 2-amino-2-methylselanylpropanoate
CID 141138215
methyl 2-carbamoyl-3-methyl-2-propan-2-ylbutanoate
CID 3507009
methyl (2S,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 15609948
methyl (3S)-2-amino-3-hydroxy-2-methylbutanoate
CID 175060753
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
methyl 2-amino-2-tert-butyl-3,3-difluorobutanoate
CID 105462709

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate?
The IUPAC name of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate (CID 87710360) is methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate.
What is the SMILES notation for methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate?
The canonical SMILES for methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate is COC(=O)[C@](C)(N)C(N)=O.
What is the InChIKey of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate?
The InChIKey is YIZBLQKDLJUZIW-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-5(7,3(6)8)4(9)10-2/h7H2,1-2H3,(H2,6,8)/t5-/m1/s1.
What are the key properties of methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate?
methyl (2R)-2,3-diamino-2-methyl-3-oxopropanoate has a molecular weight of 146.15 g/mol, XLogP of -1.64, 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 is sourced from PubChem (CID 87710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).