5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid

C12H17NO5 — CID 107201888

IUPAC5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCN(CCCCCO)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO5/c1-13(5-3-2-4-6-14)11(15)10-7-9(8-18-10)12(16)17/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyPDFAZLYESAGYDW-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.21
Rot. Bonds7

About 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid

5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 107201888) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
PubChem CID107201888
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
SMILESCN(CCCCCO)C(=O)c1cc(C(=O)O)co1
InChIInChI=1S/C12H17NO5/c1-13(5-3-2-4-6-14)11(15)10-7-9(8-18-10)12(16)17/h7-8,14H,2-6H2,1H3,(H,16,17)
InChIKeyPDFAZLYESAGYDW-UHFFFAOYSA-N
XLogP1.21
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-hydroxyethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607214
5-[2-cyanoethyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607071
5-[bis(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 113432257
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
5-[(3-chlorophenyl)methyl-methylcarbamoyl]furan-3-carboxylic acid
CID 104607255
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
5-[ethyl(2-methoxyethyl)carbamoyl]furan-3-carboxylic acid
CID 104607286
5-[1-methoxypropan-2-yl(methyl)carbamoyl]furan-3-carboxylic acid
CID 104607291
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N-(5-hydroxypentyl)-N,2-dimethylfuran-3-carboxamide
CID 107202593
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-(5-hydroxypentyl)-N-methyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 107199978

Frequently Asked Questions

What is the IUPAC name of 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid (CID 107201888) is 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid is CN(CCCCCO)C(=O)c1cc(C(=O)O)co1.
What is the InChIKey of 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is PDFAZLYESAGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-13(5-3-2-4-6-14)11(15)10-7-9(8-18-10)12(16)17/h7-8,14H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid?
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 107201888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).