trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid

C10H16O4 — CID 124703423

IUPACtrans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(13)7-5-4-6(7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyJBBMXPFFCFHKDD-RNFRBKRXSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds2

About trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid

trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid (PubChem CID 124703423) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
PubChem CID124703423
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nametrans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(13)7-5-4-6(7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyJBBMXPFFCFHKDD-RNFRBKRXSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclobutane-1,2-dicarboxylic acid
CID 14297
cis-Cyclobutane-1,2-dicarboxylic acid
CID 6544483
(+-)-trans-1,2-Cyclobutanedicarboxylic acid
CID 10888028
1,2-Cyclobutanedicarboxylic acid, 3-methyl-
CID 52519
(1s,3s)-3-[2-(Tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 59834874
Diethyl cyclobutane-1,2-dicarboxylate
CID 273617
Dipropan-2-yl cyclobutane-1,2-dicarboxylate
CID 46343
Cyclobutane-1,2-dicarboxylic acid, diisopropyl ester, (Z)-
CID 46344
rac-(1R,2R)-2-(methoxycarbonyl)cyclobutane-1-carboxylic acid
CID 12610333
rac-tert-butyl (1R,2R)-2-(hydroxymethyl)cyclobutane-1-carboxylate
CID 132343835
rac-(1R,2S)-2-(ethoxycarbonyl)cyclobutane-1-carboxylic acid
CID 129384010
(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
CID 10728170

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid (CID 124703423) is trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid?
The InChIKey is JBBMXPFFCFHKDD-RNFRBKRXSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2,3)14-9(13)7-5-4-6(7)8(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid?
trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 124703423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).