2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid

C14H22N2O4 — CID 79803984

IUPAC2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-14(5-2,12(17)18)16-13(19)15-10(3)9-11-7-6-8-20-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyORPBXUDRYMRACR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.15
Rot. Bonds7

About 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid

2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid (PubChem CID 79803984) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
PubChem CID79803984
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
SMILESCCC(CC)(NC(=O)NC(C)Cc1ccco1)C(=O)O
InChIInChI=1S/C14H22N2O4/c1-4-14(5-2,12(17)18)16-13(19)15-10(3)9-11-7-6-8-20-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyORPBXUDRYMRACR-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 79791930
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
2-ethyl-2-[3-(furan-2-yl)propanoylamino]butanoic acid
CID 79807068
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085
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
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
1-(4-chlorophenyl)-3-[1-(furan-2-yl)propan-2-yl]urea
CID 47171952

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid (CID 79803984) is 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid is CCC(CC)(NC(=O)NC(C)Cc1ccco1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid?
The InChIKey is ORPBXUDRYMRACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-14(5-2,12(17)18)16-13(19)15-10(3)9-11-7-6-8-20-11/h6-8,10H,4-5,9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid?
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid is sourced from PubChem (CID 79803984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).