4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one

C7H11NO3 — CID 163848084

IUPAC4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCC(C)Cc1oc(=O)oc1N
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(8)11-7(9)10-5/h4H,3,8H2,1-2H3
InChIKeyORYAYGBKEIEEBC-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.01
Rot. Bonds2

About 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one

4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one (PubChem CID 163848084) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one
PubChem CID163848084
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one
SMILESCC(C)Cc1oc(=O)oc1N
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(8)11-7(9)10-5/h4H,3,8H2,1-2H3
InChIKeyORYAYGBKEIEEBC-UHFFFAOYSA-N
XLogP1.01
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one?
The IUPAC name of 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one (CID 163848084) is 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one is CC(C)Cc1oc(=O)oc1N.
What is the InChIKey of 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one?
The InChIKey is ORYAYGBKEIEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)3-5-6(8)11-7(9)10-5/h4H,3,8H2,1-2H3.
What are the key properties of 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one?
4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one has a molecular weight of 157.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropyl)-1,3-dioxol-2-one is sourced from PubChem (CID 163848084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).