cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate

C19H32N2O5 — CID 11682154

IUPACcis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC[C@H]1NC(=O)N[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-18(2,3)25-15(22)11-7-9-13(11)20-17(24)21-14-10-8-12(14)16(23)26-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,21,24)/t11-,12-,13+,14+/m0/s1
InChIKeyVIKRQOWFDOIGJV-IGQOVBAYSA-N
MW368.47 g/mol
LogP2.53
Rot. Bonds4

About cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate

cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate (PubChem CID 11682154) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
PubChem CID11682154
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Namecis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC[C@H]1NC(=O)N[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C19H32N2O5/c1-18(2,3)25-15(22)11-7-9-13(11)20-17(24)21-14-10-8-12(14)16(23)26-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,21,24)/t11-,12-,13+,14+/m0/s1
InChIKeyVIKRQOWFDOIGJV-IGQOVBAYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate with MolForge

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Related Compounds

trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
tert-butyl 2-(methylamino)cyclopropane-1-carboxylate
CID 156544485
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
cis-tert-butyl (1S,2R)-2-[[(1S,2R)-2-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclobutane-1-carboxylate
CID 11654280
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
methyl 2-acetamidocyclobutane-1-carboxylate
CID 163622472
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl 7-acetamidobicyclo[2.2.1]heptane-2-carboxylate
CID 163458051

Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate (CID 11682154) is cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate is CC(C)(C)OC(=O)[C@H]1CC[C@H]1NC(=O)N[C@@H]1CC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate?
The InChIKey is VIKRQOWFDOIGJV-IGQOVBAYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-18(2,3)25-15(22)11-7-9-13(11)20-17(24)21-14-10-8-12(14)16(23)26-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,21,24)/t11-,12-,13+,14+/m0/s1.
What are the key properties of cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate?
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate is sourced from PubChem (CID 11682154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).