oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate

C12H23NO3 — CID 67725514

IUPACoxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate
SMILESCC[C@@H](NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C12H23NO3/c1-4-11(9(2)3)13-12(14)16-10-5-7-15-8-6-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeySGCLZXYXAZRUHT-LLVKDONJSA-N
MW229.32 g/mol
LogP2.33
Rot. Bonds4

About oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate

oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate (PubChem CID 67725514) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate
PubChem CID67725514
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameoxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate
SMILESCC[C@@H](NC(=O)OC1CCOCC1)C(C)C
InChIInChI=1S/C12H23NO3/c1-4-11(9(2)3)13-12(14)16-10-5-7-15-8-6-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t11-/m1/s1
InChIKeySGCLZXYXAZRUHT-LLVKDONJSA-N
XLogP2.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate?
The IUPAC name of oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate (CID 67725514) is oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate.
What is the SMILES notation for oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate?
The canonical SMILES for oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate is CC[C@@H](NC(=O)OC1CCOCC1)C(C)C.
What is the InChIKey of oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate?
The InChIKey is SGCLZXYXAZRUHT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-11(9(2)3)13-12(14)16-10-5-7-15-8-6-10/h9-11H,4-8H2,1-3H3,(H,13,14)/t11-/m1/s1.
What are the key properties of oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate?
oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-[(3R)-2-methylpentan-3-yl]carbamate is sourced from PubChem (CID 67725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).