tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate

C17H26N2O3 — CID 103748609

IUPACtert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
SMILESCC1CC1c1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H26N2O3/c1-11-7-14(11)15-6-5-13(21-15)8-18-12-9-19(10-12)16(20)22-17(2,3)4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyRVVQOHJPRWKQKI-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate

tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate (PubChem CID 103748609) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
PubChem CID103748609
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate
SMILESCC1CC1c1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H26N2O3/c1-11-7-14(11)15-6-5-13(21-15)8-18-12-9-19(10-12)16(20)22-17(2,3)4/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyRVVQOHJPRWKQKI-UHFFFAOYSA-N
XLogP3.11
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(5-iodofuran-2-yl)methylamino]azetidine-1-carboxylate
CID 107241835
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 3-[(2-chlorophenyl)methylamino]azetidine-1-carboxylate
CID 63302872
tert-butyl 3-[(3,4-dihydroxyphenyl)methylamino]azetidine-1-carboxylate
CID 103953629
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-[(2-amino-4-bromophenyl)methylamino]azetidine-1-carboxylate
CID 134413630
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
tert-butyl 3-[(2,3-difluorophenyl)methylamino]azetidine-1-carboxylate
CID 103748573
tert-butyl 3-[(2,4-difluorophenyl)methylamino]azetidine-1-carboxylate
CID 63303234
tert-butyl 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]azetidine-1-carboxylate
CID 162746154
tert-butyl 3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)azetidine-1-carboxylate
CID 63303317

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate (CID 103748609) is tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate is CC1CC1c1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate?
The InChIKey is RVVQOHJPRWKQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11-7-14(11)15-6-5-13(21-15)8-18-12-9-19(10-12)16(20)22-17(2,3)4/h5-6,11-12,14,18H,7-10H2,1-4H3.
What are the key properties of tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate?
tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]azetidine-1-carboxylate is sourced from PubChem (CID 103748609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).