formamidomethyl propanoate

C5H9NO3 — CID 174432270

IUPACformamidomethyl propanoate
SMILESCCC(=O)OCNC=O
InChIInChI=1S/C5H9NO3/c1-2-5(8)9-4-6-3-7/h3H,2,4H2,1H3,(H,6,7)
InChIKeyULCYUHJQCMDIAO-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.36
Rot. Bonds4

About formamidomethyl propanoate

formamidomethyl propanoate (PubChem CID 174432270) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is formamidomethyl propanoate.

Molecular Properties

Compound Nameformamidomethyl propanoate
PubChem CID174432270
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameformamidomethyl propanoate
SMILESCCC(=O)OCNC=O
InChIInChI=1S/C5H9NO3/c1-2-5(8)9-4-6-3-7/h3H,2,4H2,1H3,(H,6,7)
InChIKeyULCYUHJQCMDIAO-UHFFFAOYSA-N
XLogP-0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(pentylamino)methyl propanoate
CID 141341777
methyl 3-formamidopropanoate;methyl propanoate
CID 145171236
4-O-(acetamidomethyl) 1-O-(formamidomethyl) (E)-but-2-enedioate
CID 126497445
formic acid;methyl propanoate
CID 161212628
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
sodium;formamido propanoate;hydride
CID 174830035
2-formylprop-2-enyl propanoate
CID 86109150
silylmethyl propanoate
CID 152513576
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872
ethyl propanoate;tin(2+);dichloride
CID 171374953
calcium;ethyl propanoate;hydride
CID 173132885

Frequently Asked Questions

What is the IUPAC name of formamidomethyl propanoate?
The IUPAC name of formamidomethyl propanoate (CID 174432270) is formamidomethyl propanoate.
What is the SMILES notation for formamidomethyl propanoate?
The canonical SMILES for formamidomethyl propanoate is CCC(=O)OCNC=O.
What is the InChIKey of formamidomethyl propanoate?
The InChIKey is ULCYUHJQCMDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-5(8)9-4-6-3-7/h3H,2,4H2,1H3,(H,6,7).
What are the key properties of formamidomethyl propanoate?
formamidomethyl propanoate has a molecular weight of 131.13 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamidomethyl propanoate is sourced from PubChem (CID 174432270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).