5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid

C15H24N2O5 — CID 107251206

IUPAC5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H24N2O5/c1-5-10(8-17-14(20)22-15(2,3)4)16-9-11-6-7-12(21-11)13(18)19/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXZSCJMPOMGHKOL-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.37
Rot. Bonds7

About 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid

5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid (PubChem CID 107251206) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
PubChem CID107251206
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid
SMILESCCC(CNC(=O)OC(C)(C)C)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H24N2O5/c1-5-10(8-17-14(20)22-15(2,3)4)16-9-11-6-7-12(21-11)13(18)19/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXZSCJMPOMGHKOL-UHFFFAOYSA-N
XLogP2.37
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]furan-2-carboxylic acid
CID 107251769
tert-butyl N-[2-[(4-fluorophenyl)methylamino]butyl]carbamate
CID 107251081
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]methyl]furan-2-carboxylic acid
CID 107241247
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]butyl]carbamate
CID 107251345
tert-butyl N-[2-[(3-fluoro-4-hydroxyphenyl)methylamino]butyl]carbamate
CID 107686110
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
tert-butyl N-[4-methyl-2-[(5-nitrofuran-2-yl)methylamino]pentyl]carbamate
CID 113234444
tert-butyl N-[2-(1H-pyrazol-5-ylmethylamino)butyl]carbamate
CID 107251255
tert-butyl N-[2-(1H-indol-6-ylmethylamino)butyl]carbamate
CID 107250820
5-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]furan-2-carboxylic acid
CID 81462245
tert-butyl N-[[5-[ethyl(methyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 71995203
tert-butyl N-[2-[(1-tert-butylpyrazol-4-yl)methylamino]butyl]carbamate
CID 107251113

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid (CID 107251206) is 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid is CCC(CNC(=O)OC(C)(C)C)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid?
The InChIKey is XZSCJMPOMGHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-5-10(8-17-14(20)22-15(2,3)4)16-9-11-6-7-12(21-11)13(18)19/h6-7,10,16H,5,8-9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid?
5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 107251206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).