4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

C13H20N2O4 — CID 81070013

IUPAC4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O
InChIInChI=1S/C13H20N2O4/c1-9(6-12(16)17)8-14-13(18)15-10(2)7-11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyAFZYRLQXEQQMTJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.62
Rot. Bonds7

About 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid

4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 81070013) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
PubChem CID81070013
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O
InChIInChI=1S/C13H20N2O4/c1-9(6-12(16)17)8-14-13(18)15-10(2)7-11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyAFZYRLQXEQQMTJ-UHFFFAOYSA-N
XLogP1.62
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
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
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
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-methylpropanamide
CID 62728492
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952
3,3,3-trifluoro-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 79791930
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid (CID 81070013) is 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is CC(CNC(=O)NC(C)Cc1ccco1)CC(=O)O.
What is the InChIKey of 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is AFZYRLQXEQQMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(6-12(16)17)8-14-13(18)15-10(2)7-11-4-3-5-19-11/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid?
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 81070013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).