2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid

C14H22N2O4 — CID 65223156

IUPAC2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(Cc1ccco1)NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O4/c1-9(2)12(13(17)18)8-15-14(19)16-10(3)7-11-5-4-6-20-11/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWRWQPRVMOSSEQQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.87
Rot. Bonds7

About 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid

2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 65223156) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID65223156
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
SMILESCC(Cc1ccco1)NC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H22N2O4/c1-9(2)12(13(17)18)8-15-14(19)16-10(3)7-11-5-4-6-20-11/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyWRWQPRVMOSSEQQ-UHFFFAOYSA-N
XLogP1.87
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
CID 61471041
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3,3,3-trifluoro-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 79791930
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid (CID 65223156) is 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid is CC(Cc1ccco1)NC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is WRWQPRVMOSSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(2)12(13(17)18)8-15-14(19)16-10(3)7-11-5-4-6-20-11/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid?
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).