propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

C10H19NO4 — CID 116657841

IUPACpropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)C)CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXIRQPMCBPMHEEE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.93
Rot. Bonds4

About propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate

propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (PubChem CID 116657841) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
PubChem CID116657841
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)C)CCOC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyXIRQPMCBPMHEEE-UHFFFAOYSA-N
XLogP0.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyoxolan-3-yl)methylurea
CID 104704481
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
2-[(3-methoxyoxolan-3-yl)methylamino]propanamide
CID 104704803
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]butanediamide
CID 113450284
N-[(3-methoxyoxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 104709004
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
CID 81131007
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442
N-(cyanomethyl)-N'-[(3-methoxyoxolan-3-yl)methyl]oxamide
CID 113450295

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate (CID 116657841) is propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is COC1(CNC(=O)OC(C)C)CCOC1.
What is the InChIKey of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
The InChIKey is XIRQPMCBPMHEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)15-9(12)11-6-10(13-3)4-5-14-7-10/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate?
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 116657841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).