tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate

C12H19NO5 — CID 170831497

IUPACtert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccoc1
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-9(14)10(15)8-4-5-17-7-8/h4-5,7,9-10,14-15H,6H2,1-3H3,(H,13,16)
InChIKeyUZUPSIFERPYOMT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.20
Rot. Bonds4

About tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170831497) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170831497
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nametert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccoc1
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-9(14)10(15)8-4-5-17-7-8/h4-5,7,9-10,14-15H,6H2,1-3H3,(H,13,16)
InChIKeyUZUPSIFERPYOMT-UHFFFAOYSA-N
XLogP1.20
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[3-(3,4-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831663
tert-butyl N-[3-[4-(dimethylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 170832177
tert-butyl N-[2,3-dihydroxy-3-[4-(4-hydroxyphenyl)phenyl]propyl]carbamate
CID 170833086
tert-butyl N-[2,3-dihydroxy-3-(4-propan-2-yloxyphenyl)propyl]carbamate
CID 170832461
tert-butyl N-[3-(2-aminopyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170831631
tert-butyl N-[2,3-dihydroxy-3-(3-hydroxyphenyl)propyl]carbamate
CID 170831552
tert-butyl N-[2,3-dihydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]carbamate
CID 170832479
tert-butyl N-[2,3-dihydroxy-3-(4-pyrrolidin-1-ylphenyl)propyl]carbamate
CID 170833378
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
tert-butyl N-[3-(3-fluoro-4-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831658

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate (CID 170831497) is tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccoc1.
What is the InChIKey of tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is UZUPSIFERPYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-9(14)10(15)8-4-5-17-7-8/h4-5,7,9-10,14-15H,6H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(furan-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170831497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).