methyl 2-formamidopropanoate

C5H9NO3 — CID 10307863

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

About methyl 2-formamidopropanoate

methyl 2-formamidopropanoate (PubChem CID 10307863) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl 2-formamidopropanoate.

Molecular Properties

Compound Namemethyl 2-formamidopropanoate
PubChem CID10307863
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl 2-formamidopropanoate
SMILESCOC(=O)C(C)NC=O
InChIInChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7)
InChIKeySVSWJSUDUWAMGX-UHFFFAOYSA-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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Related Compounds

N-Formylalanine
CID 79996
Methyl (propionylamino)acetate
CID 533879
N-Formyl-L-alanine
CID 1810758
(S)-Methyl 2-acetamidopropanoate
CID 6951030
Ethyl N-formyl-2-aminopropanoate
CID 13195129
(S)-2-(Methylamino)propanoic acid methyl ester
CID 11040900
methyl (2S)-2-acetamidobutanoate
CID 11084154
ethyl N-acetyl-l-alaninate
CID 11805045
methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
Methyl 2-acetamidopropanoate
CID 520278
(R)-Methyl 2-acetamidopropanoate
CID 6951031

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamidopropanoate?
The IUPAC name of methyl 2-formamidopropanoate (CID 10307863) is methyl 2-formamidopropanoate.
What is the SMILES notation for methyl 2-formamidopropanoate?
The canonical SMILES for methyl 2-formamidopropanoate is COC(=O)C(C)NC=O.
What is the InChIKey of methyl 2-formamidopropanoate?
The InChIKey is SVSWJSUDUWAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(6-3-7)5(8)9-2/h3-4H,1-2H3,(H,6,7).
What are the key properties of methyl 2-formamidopropanoate?
methyl 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 2-formamidopropanoate is sourced from PubChem (CID 10307863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).