tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate

C13H21NO4 — CID 165468552

IUPACtert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)C1=CCCO1
InChIInChI=1S/C13H21NO4/c1-5-9(11(15)10-7-6-8-17-10)14-12(16)18-13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyJKBZURKALMKHHF-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate (PubChem CID 165468552) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate
PubChem CID165468552
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Nametert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C(=O)C1=CCCO1
InChIInChI=1S/C13H21NO4/c1-5-9(11(15)10-7-6-8-17-10)14-12(16)18-13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,14,16)
InChIKeyJKBZURKALMKHHF-UHFFFAOYSA-N
XLogP2.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-(2,3-dihydrofuran-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 143740982
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
CID 162513184
CID 162513184
cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
tert-butyl N-[(2R)-1-oxo-1-(1,3-thiazol-2-yl)butan-2-yl]carbamate
CID 165471034
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
tert-butyl N-(2-methoxypent-1-en-3-yl)carbamate
CID 177029791
tert-butyl N-[1-(3,6-dihydro-2H-pyran-5-yl)-3-oxopropan-2-yl]carbamate
CID 20501491
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 87856844
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
benzene;tert-butyl N-[(3S)-4,7-dioxooctan-3-yl]carbamate
CID 162117321

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate (CID 165468552) is tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate is CCC(NC(=O)OC(C)(C)C)C(=O)C1=CCCO1.
What is the InChIKey of tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate?
The InChIKey is JKBZURKALMKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-5-9(11(15)10-7-6-8-17-10)14-12(16)18-13(2,3)4/h7,9H,5-6,8H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate has a molecular weight of 255.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2,3-dihydrofuran-5-yl)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 165468552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).