6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid

C12H17NO4 — CID 28776987

IUPAC6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C12H17NO4/c1-9-6-7-10(17-9)12(16)13-8-4-2-3-5-11(14)15/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyBIRSUODDQYDETK-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.96
Rot. Bonds7

About 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid

6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid (PubChem CID 28776987) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
PubChem CID28776987
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
SMILESCc1ccc(C(=O)NCCCCCC(=O)O)o1
InChIInChI=1S/C12H17NO4/c1-9-6-7-10(17-9)12(16)13-8-4-2-3-5-11(14)15/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,15)
InChIKeyBIRSUODDQYDETK-UHFFFAOYSA-N
XLogP1.96
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(5-methylfuran-2-carbonyl)amino]hexanoate
CID 43404643
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
N-(5-amino-5-hydroxyiminopentyl)-5-methylfuran-2-carboxamide
CID 77036852
6-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]hexanoic acid
CID 119219853
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
6-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]hexanoic acid
CID 43091711
5-[(5-methylfuran-2-yl)amino]pentanoic acid
CID 115218913
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
5-[(4-ethylbenzoyl)amino]pentanoic acid
CID 62034291
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid (CID 28776987) is 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid is Cc1ccc(C(=O)NCCCCCC(=O)O)o1.
What is the InChIKey of 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid?
The InChIKey is BIRSUODDQYDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-6-7-10(17-9)12(16)13-8-4-2-3-5-11(14)15/h6-7H,2-5,8H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid?
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 28776987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).