methyl (2R)-2-formamidopropanoate

C5H9NO3 — CID 11651157

IUPACmethyl (2R)-2-formamidopropanoate
SMILESCOC(=O)[C@@H](C)NC=O
InChIInChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7)/t4-/m1/s1
InChIKeySVSWJSUDUWAMGX-SCSAIBSYSA-N
MW131.13 g/mol
LogP-0.71
Rot. Bonds3

About methyl (2R)-2-formamidopropanoate

methyl (2R)-2-formamidopropanoate (PubChem CID 11651157) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl (2R)-2-formamidopropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-formamidopropanoate
PubChem CID11651157
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl (2R)-2-formamidopropanoate
SMILESCOC(=O)[C@@H](C)NC=O
InChIInChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7)/t4-/m1/s1
InChIKeySVSWJSUDUWAMGX-SCSAIBSYSA-N
XLogP-0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-formamidopropanoate?
The IUPAC name of methyl (2R)-2-formamidopropanoate (CID 11651157) is methyl (2R)-2-formamidopropanoate.
What is the SMILES notation for methyl (2R)-2-formamidopropanoate?
The canonical SMILES for methyl (2R)-2-formamidopropanoate is COC(=O)[C@@H](C)NC=O.
What is the InChIKey of methyl (2R)-2-formamidopropanoate?
The InChIKey is SVSWJSUDUWAMGX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7)/t4-/m1/s1.
What are the key properties of methyl (2R)-2-formamidopropanoate?
methyl (2R)-2-formamidopropanoate has a molecular weight of 131.13 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-formamidopropanoate is sourced from PubChem (CID 11651157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).