methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid

C7H9NO5 — CID 175941189

IUPACmethyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid
SMILESCc1oc(=O)oc1CN(C)C(=O)O
InChIInChI=1S/C7H9NO5/c1-4-5(13-7(11)12-4)3-8(2)6(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyCXSHNRNMNRPROB-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.65
Rot. Bonds2

About methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid

methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid (PubChem CID 175941189) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid
PubChem CID175941189
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Namemethyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid
SMILESCc1oc(=O)oc1CN(C)C(=O)O
InChIInChI=1S/C7H9NO5/c1-4-5(13-7(11)12-4)3-8(2)6(9)10/h3H2,1-2H3,(H,9,10)
InChIKeyCXSHNRNMNRPROB-UHFFFAOYSA-N
XLogP0.65
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Dimethylamino)methyl]-5-methyl-1,3-dioxol-2-one
CID 91355850
(5-Methyl-2-oxo-1,3-dioxol-4-yl)methylcarbamic acid
CID 175744375

Frequently Asked Questions

What is the IUPAC name of methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid?
The IUPAC name of methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid (CID 175941189) is methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid.
What is the SMILES notation for methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid?
The canonical SMILES for methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid is Cc1oc(=O)oc1CN(C)C(=O)O.
What is the InChIKey of methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid?
The InChIKey is CXSHNRNMNRPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-4-5(13-7(11)12-4)3-8(2)6(9)10/h3H2,1-2H3,(H,9,10).
What are the key properties of methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid?
methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid has a molecular weight of 187.15 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]carbamic acid is sourced from PubChem (CID 175941189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).