methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate

C12H21NO4 — CID 59470809

IUPACmethyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)C(C)C)C1CCOCC1
InChIInChI=1S/C12H21NO4/c1-8(2)11(14)10(13-12(15)16-3)9-4-6-17-7-5-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyUCKZFXVERFXOFI-SNVBAGLBSA-N
MW243.30 g/mol
LogP1.36
Rot. Bonds4

About methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate

methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate (PubChem CID 59470809) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
PubChem CID59470809
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate
SMILESCOC(=O)N[C@@H](C(=O)C(C)C)C1CCOCC1
InChIInChI=1S/C12H21NO4/c1-8(2)11(14)10(13-12(15)16-3)9-4-6-17-7-5-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1
InChIKeyUCKZFXVERFXOFI-SNVBAGLBSA-N
XLogP1.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate?
The IUPAC name of methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate (CID 59470809) is methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate.
What is the SMILES notation for methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate?
The canonical SMILES for methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate is COC(=O)N[C@@H](C(=O)C(C)C)C1CCOCC1.
What is the InChIKey of methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate?
The InChIKey is UCKZFXVERFXOFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)11(14)10(13-12(15)16-3)9-4-6-17-7-5-9/h8-10H,4-7H2,1-3H3,(H,13,15)/t10-/m1/s1.
What are the key properties of methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate?
methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate has a molecular weight of 243.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R)-3-methyl-1-(oxan-4-yl)-2-oxobutyl]carbamate is sourced from PubChem (CID 59470809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).