propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate

C10H19NO4 — CID 81131007

IUPACpropan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-7-10(13)3-5-14-6-4-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyVIKULEKGBSWTEC-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.66
Rot. Bonds3

About propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate

propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate (PubChem CID 81131007) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
PubChem CID81131007
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namepropan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(O)CCOCC1
InChIInChI=1S/C10H19NO4/c1-8(2)15-9(12)11-7-10(13)3-5-14-6-4-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyVIKULEKGBSWTEC-UHFFFAOYSA-N
XLogP0.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]pentanamide
CID 81131323
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
N-[(4-hydroxyoxan-4-yl)methyl]-2,3,3-trimethylbutanamide
CID 70969174
propan-2-yl N-[4-(aminomethyl)oxan-4-yl]carbamate
CID 106297630
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
N-[(4-hydroxyoxan-4-yl)methyl]-2-propan-2-yliminopropanamide
CID 123380964
propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate
CID 123801735
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate (CID 81131007) is propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate is CC(C)OC(=O)NCC1(O)CCOCC1.
What is the InChIKey of propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate?
The InChIKey is VIKULEKGBSWTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)15-9(12)11-7-10(13)3-5-14-6-4-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate?
propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate has a molecular weight of 217.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-hydroxyoxan-4-yl)methyl]carbamate is sourced from PubChem (CID 81131007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).