(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

C11H17NO5 — CID 155287867

IUPAC(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCC(C)(C)OC(=O)N(C(=O)O)C1CC(C=O)C1
InChIInChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12(9(14)15)8-4-7(5-8)6-13/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyPUKWRFJZDPVTDH-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.88
Rot. Bonds2

About (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid

(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (PubChem CID 155287867) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.

Molecular Properties

Compound Name(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
PubChem CID155287867
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
SMILESCC(C)(C)OC(=O)N(C(=O)O)C1CC(C=O)C1
InChIInChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12(9(14)15)8-4-7(5-8)6-13/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKeyPUKWRFJZDPVTDH-UHFFFAOYSA-N
XLogP1.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3-formylcyclobutyl)carbamate;tert-butyl N-(3-formylcyclobutyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;methane
CID 158136016
tert-butyl 5-formyl-2-methylcycloheptane-1-carboxylate
CID 123198778
tert-butyl (5R)-3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 170038302
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-carbamoyl-N-cyclopentylcarbamate
CID 141307871
tert-butyl 2-formylcyclobutane-1-carboxylate
CID 165438429
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
CID 163452966
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
tert-butyl N-(4-methylidenecyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118990065
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate
CID 167063617

Frequently Asked Questions

What is the IUPAC name of (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The IUPAC name of (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid (CID 155287867) is (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid.
What is the SMILES notation for (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The canonical SMILES for (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is CC(C)(C)OC(=O)N(C(=O)O)C1CC(C=O)C1.
What is the InChIKey of (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
The InChIKey is PUKWRFJZDPVTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12(9(14)15)8-4-7(5-8)6-13/h6-8H,4-5H2,1-3H3,(H,14,15).
What are the key properties of (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid?
(3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid has a molecular weight of 243.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formylcyclobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid is sourced from PubChem (CID 155287867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).