[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate

C14H19NO5 — CID 123678455

IUPAC[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate
SMILESCC(=O)NC1CC1c1cocc1OC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO5/c1-8(16)15-11-5-9(11)10-6-18-7-12(10)19-13(17)20-14(2,3)4/h6-7,9,11H,5H2,1-4H3,(H,15,16)
InChIKeyYZCIDPNEEOXTJW-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.59
Rot. Bonds3

About [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate

[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate (PubChem CID 123678455) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate
PubChem CID123678455
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate
SMILESCC(=O)NC1CC1c1cocc1OC(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO5/c1-8(16)15-11-5-9(11)10-6-18-7-12(10)19-13(17)20-14(2,3)4/h6-7,9,11H,5H2,1-4H3,(H,15,16)
InChIKeyYZCIDPNEEOXTJW-UHFFFAOYSA-N
XLogP2.59
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
CID 123807882
[2-[2-(butoxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
CID 123775950
tert-butyl (3aR,6aS)-5-acetamido-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 58147613
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
methyl 5-methyl-4-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]thiophene-2-carboxylate
CID 118432774
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[(1R,2S)-2-(4-aminophenyl)cyclopropyl]carbamate
CID 86673140
tert-butyl N-[(1R,2S)-2-(4-bromophenyl)cyclopropyl]carbamate;tert-butyl N-[(1S,2R)-2-(4-bromophenyl)cyclopropyl]carbamate
CID 172878388
tert-butyl N-[3-[[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]amino]-3-oxopropyl]carbamate
CID 95331057

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate?
The IUPAC name of [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate (CID 123678455) is [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate.
What is the SMILES notation for [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate?
The canonical SMILES for [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate is CC(=O)NC1CC1c1cocc1OC(=O)OC(C)(C)C.
What is the InChIKey of [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate?
The InChIKey is YZCIDPNEEOXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-8(16)15-11-5-9(11)10-6-18-7-12(10)19-13(17)20-14(2,3)4/h6-7,9,11H,5H2,1-4H3,(H,15,16).
What are the key properties of [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate?
[4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate has a molecular weight of 281.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetamidocyclopropyl)furan-3-yl] tert-butyl carbonate is sourced from PubChem (CID 123678455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).