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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Related Compounds

4-(bromomethyl)-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 57435408
4-cyclohexyl-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 177096003
3-chloro-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105435952
2-tert-butyl-6-methyloxane-3,4,5-triol;4-methyl-5-(2-methylpropyl)-1,3-dioxol-2-one
CID 167544640
3-bromo-5-(2-methylpropyl)-1,2-oxazol-4-amine
CID 105473444
5-(2-methylpropyl)-4-(1-oxo-3-oxa-1λ5-phosphatricyclo[3.1.0.02,6]hexa-2(6),4-dien-4-yl)-1,3-oxazol-2-amine
CID 141021939
4-(hydroxymethyl)-5-methyl-1,3-dioxol-2-one
CID 10510878
[5-(2-methylpropyl)-4-propan-2-yl-1,3-oxazol-2-yl]methanamine
CID 82399380
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2S,3S)-2,3-dimethylpentanoate
CID 174159130
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
CID 164575426
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819

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).