(2-carbamoyloxy-3-methylbutan-2-yl) carbamate

C7H14N2O4 — CID 54113594

IUPAC(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
SMILESCC(C)C(C)(OC(N)=O)OC(N)=O
InChIInChI=1S/C7H14N2O4/c1-4(2)7(3,12-5(8)10)13-6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyNITZFISWGXOMJC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.55
Rot. Bonds3

About (2-carbamoyloxy-3-methylbutan-2-yl) carbamate

(2-carbamoyloxy-3-methylbutan-2-yl) carbamate (PubChem CID 54113594) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2-carbamoyloxy-3-methylbutan-2-yl) carbamate.

Molecular Properties

Compound Name(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
PubChem CID54113594
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2-carbamoyloxy-3-methylbutan-2-yl) carbamate
SMILESCC(C)C(C)(OC(N)=O)OC(N)=O
InChIInChI=1S/C7H14N2O4/c1-4(2)7(3,12-5(8)10)13-6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyNITZFISWGXOMJC-UHFFFAOYSA-N
XLogP0.55
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-2-(2-methylpropanoyloxy)butan-2-yl] 2-methylpropanoate
CID 19901577
2,3-dimethylbutan-2-yl carbamate
CID 20975410
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582
tert-butyl carbamate;molecular nitrogen
CID 176888665
[(4S)-4-acetyl-2,5-dimethylhexan-2-yl] carbamate
CID 155600204
[(5S)-5-amino-2-methylhexan-2-yl] carbamate
CID 174841923
[(5S)-5-hydroxy-2-methylhexan-2-yl] carbamate
CID 121226929
2-methyl-2-propan-2-ylpropanediamide
CID 45122126
(4-amino-4-imino-2,3-dimethylbutan-2-yl) carbamate
CID 174596017
2,5-dimethylheptan-2-yl carbamate
CID 123535810
tert-butyl carbamate;cyclopropyne
CID 174661984
3-carbamoyloxy-2,2,3-trimethylbutanoic acid
CID 163692973

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyloxy-3-methylbutan-2-yl) carbamate?
The IUPAC name of (2-carbamoyloxy-3-methylbutan-2-yl) carbamate (CID 54113594) is (2-carbamoyloxy-3-methylbutan-2-yl) carbamate.
What is the SMILES notation for (2-carbamoyloxy-3-methylbutan-2-yl) carbamate?
The canonical SMILES for (2-carbamoyloxy-3-methylbutan-2-yl) carbamate is CC(C)C(C)(OC(N)=O)OC(N)=O.
What is the InChIKey of (2-carbamoyloxy-3-methylbutan-2-yl) carbamate?
The InChIKey is NITZFISWGXOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-4(2)7(3,12-5(8)10)13-6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of (2-carbamoyloxy-3-methylbutan-2-yl) carbamate?
(2-carbamoyloxy-3-methylbutan-2-yl) carbamate has a molecular weight of 190.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyloxy-3-methylbutan-2-yl) carbamate is sourced from PubChem (CID 54113594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).