methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate

C10H14N2O5 — CID 22951562

IUPACmethyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC[C@H](N)C(N)=O)o1
InChIInChI=1S/C10H14N2O5/c1-15-10(14)8-3-2-6(17-8)4-16-5-7(11)9(12)13/h2-3,7H,4-5,11H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyJVWCIVHPIWOMEZ-ZETCQYMHSA-N
MW242.23 g/mol
LogP-0.60
Rot. Bonds6

About methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate

methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate (PubChem CID 22951562) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate
PubChem CID22951562
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namemethyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COC[C@H](N)C(N)=O)o1
InChIInChI=1S/C10H14N2O5/c1-15-10(14)8-3-2-6(17-8)4-16-5-7(11)9(12)13/h2-3,7H,4-5,11H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyJVWCIVHPIWOMEZ-ZETCQYMHSA-N
XLogP-0.60
TPSA117.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate (CID 22951562) is methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COC[C@H](N)C(N)=O)o1.
What is the InChIKey of methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate?
The InChIKey is JVWCIVHPIWOMEZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-15-10(14)8-3-2-6(17-8)4-16-5-7(11)9(12)13/h2-3,7H,4-5,11H2,1H3,(H2,12,13)/t7-/m0/s1.
What are the key properties of methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate?
methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate has a molecular weight of 242.23 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 22951562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).