tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid

C16H26N2O5 — CID 118692225

IUPACtert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1ccc(CN(C(=O)O)C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C16H26N2O5/c1-15(2,3)17(13(19)20)9-11-7-8-12(23-11)10-18(14(21)22)16(4,5)6/h7-8H,9-10H2,1-6H3,(H,19,20)(H,21,22)
InChIKeyUBLBOMNAFCAAEC-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.84
Rot. Bonds4

About tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid

tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid (PubChem CID 118692225) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
PubChem CID118692225
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Nametert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid
SMILESCC(C)(C)N(Cc1ccc(CN(C(=O)O)C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C16H26N2O5/c1-15(2,3)17(13(19)20)9-11-7-8-12(23-11)10-18(14(21)22)16(4,5)6/h7-8H,9-10H2,1-6H3,(H,19,20)(H,21,22)
InChIKeyUBLBOMNAFCAAEC-UHFFFAOYSA-N
XLogP3.84
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 61199602
(3-bromophenyl)methyl-tert-butylcarbamic acid
CID 66590853
[2-amino-5-(4-fluorophenoxy)phenyl]methyl-tert-butylcarbamic acid
CID 89400997
tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 67182914
3-[tert-butyl-[(5-methylfuran-2-yl)methyl]amino]propanoic acid
CID 60833994
tert-butyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 67461831
tert-butyl-[(6-formyl-3-pyridinyl)methyl]carbamic acid
CID 87099044
tert-butyl-[(5-cyanopyrimidin-2-yl)methyl]carbamic acid
CID 68681996
tert-butyl-[[3-(hydroxycarbamoyl)phenyl]methyl]carbamic acid
CID 126574790
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
5-[[tert-butyl(ethyl)amino]methyl]furan-2-carbonyl chloride
CID 82041725

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid (CID 118692225) is tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid is CC(C)(C)N(Cc1ccc(CN(C(=O)O)C(C)(C)C)o1)C(=O)O.
What is the InChIKey of tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid?
The InChIKey is UBLBOMNAFCAAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c1-15(2,3)17(13(19)20)9-11-7-8-12(23-11)10-18(14(21)22)16(4,5)6/h7-8H,9-10H2,1-6H3,(H,19,20)(H,21,22).
What are the key properties of tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid?
tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid has a molecular weight of 326.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-[[tert-butyl(carboxy)amino]methyl]furan-2-yl]methyl]carbamic acid is sourced from PubChem (CID 118692225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).