7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid

C15H24N2O4 — CID 61471041

IUPAC7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
SMILESCC(Cc1ccco1)NC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-12(11-13-7-6-10-21-13)17-15(20)16-9-5-3-2-4-8-14(18)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGNHGFOOTJOKSNG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.54
Rot. Bonds10

About 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid

7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid (PubChem CID 61471041) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
PubChem CID61471041
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid
SMILESCC(Cc1ccco1)NC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H24N2O4/c1-12(11-13-7-6-10-21-13)17-15(20)16-9-5-3-2-4-8-14(18)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyGNHGFOOTJOKSNG-UHFFFAOYSA-N
XLogP2.54
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(furan-2-ylmethylcarbamoylamino)hexanoic acid
CID 61188617
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
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
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
4-[(4-hydroxy-4-phenylbutan-2-yl)carbamoylamino]butanoic acid
CID 122022223
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-[1-(furan-2-yl)propan-2-ylsulfamoyl]propanoic acid
CID 43708955
4-[1-(2-bromophenyl)propan-2-ylcarbamoylamino]butanoic acid
CID 122006510
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638

Frequently Asked Questions

What is the IUPAC name of 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid?
The IUPAC name of 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid (CID 61471041) is 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid.
What is the SMILES notation for 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid?
The canonical SMILES for 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid is CC(Cc1ccco1)NC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid?
The InChIKey is GNHGFOOTJOKSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-12(11-13-7-6-10-21-13)17-15(20)16-9-5-3-2-4-8-14(18)19/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid?
7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.54, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(furan-2-yl)propan-2-ylcarbamoylamino]heptanoic acid is sourced from PubChem (CID 61471041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).