tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate

C13H19NO4 — CID 165465733

IUPACtert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCc1cc(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)co1
InChIInChI=1S/C13H19NO4/c1-8-6-10(7-17-8)11(15)9(2)14-12(16)18-13(3,4)5/h6-7,9H,1-5H3,(H,14,16)/t9-/m1/s1
InChIKeySMNIZIAATUSVEE-SECBINFHSA-N
MW253.30 g/mol
LogP2.68
Rot. Bonds3

About tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 165465733) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID165465733
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nametert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCc1cc(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)co1
InChIInChI=1S/C13H19NO4/c1-8-6-10(7-17-8)11(15)9(2)14-12(16)18-13(3,4)5/h6-7,9H,1-5H3,(H,14,16)/t9-/m1/s1
InChIKeySMNIZIAATUSVEE-SECBINFHSA-N
XLogP2.68
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091062
tert-butyl N-(5-methylfuran-3-yl)carbamate
CID 130056498
2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]phenoxy]butanoic acid
CID 67649747
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
tert-butyl N-[1-(1-methyl-1,2,4-triazol-3-yl)-1-oxopropan-2-yl]carbamate
CID 165463980
tert-butyl N-[1-(3-methyl-1,2-thiazol-5-yl)-1-oxopropan-2-yl]carbamate
CID 165464711
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-[(2S)-1-(5-methylthiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468160
tert-butyl N-[(2S)-1-(3,4-dihydro-2H-pyran-5-yl)-1-oxopropan-2-yl]carbamate
CID 165464644
tert-butyl N-[1-(4,5-dimethylfuran-2-yl)ethyl]carbamate
CID 130495163
tert-butyl N-[1-(2-aminophenyl)-1-oxopropan-2-yl]carbamate
CID 73172540
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate (CID 165465733) is tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate is Cc1cc(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)co1.
What is the InChIKey of tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is SMNIZIAATUSVEE-SECBINFHSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-6-10(7-17-8)11(15)9(2)14-12(16)18-13(3,4)5/h6-7,9H,1-5H3,(H,14,16)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(5-methylfuran-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 165465733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).