(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid

C14H21NO4 — CID 170988252

IUPAC(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid
SMILESCc1c[nH]c(C(=O)O[C@H](C)CCCCCC(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-10-8-12(15-9-10)14(18)19-11(2)6-4-3-5-7-13(16)17/h8-9,11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIHFBOQVNHKTHOW-LLVKDONJSA-N
MW267.32 g/mol
LogP2.90
Rot. Bonds8

About (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid

(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid (PubChem CID 170988252) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid.

Molecular Properties

Compound Name(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid
PubChem CID170988252
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid
SMILESCc1c[nH]c(C(=O)O[C@H](C)CCCCCC(=O)O)c1
InChIInChI=1S/C14H21NO4/c1-10-8-12(15-9-10)14(18)19-11(2)6-4-3-5-7-13(16)17/h8-9,11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIHFBOQVNHKTHOW-LLVKDONJSA-N
XLogP2.90
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.90
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

Pyrrolostatin
CID 5353914
Ethyl 1H-pyrrole-2-carboxylate
CID 255670
Methyl pyrrole-2-carboxylate
CID 136930
Ethyl 3-methyl-1H-pyrrole-2-carboxylate
CID 5324582
methyl 4-propionyl-1H-pyrrole-2-carboxylate
CID 40148016
methyl 4-(2-ethylbutanoyl)-1H-pyrrole-2-carboxylate
CID 1489179
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] benzoate
CID 2453689
methyl 4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate
CID 4207476
4-phenethyl-1H-pyrrole-2-carboxylic Acid
CID 11845294
Damipipecolin
CID 16742594
4-methyl-1H-pyrrole-2-carboxylic acid
CID 14643173
Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
CID 137478

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid?
The IUPAC name of (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid (CID 170988252) is (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid.
What is the SMILES notation for (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid?
The canonical SMILES for (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid is Cc1c[nH]c(C(=O)O[C@H](C)CCCCCC(=O)O)c1.
What is the InChIKey of (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid?
The InChIKey is IHFBOQVNHKTHOW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-8-12(15-9-10)14(18)19-11(2)6-4-3-5-7-13(16)17/h8-9,11,15H,3-7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid?
(7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(4-methyl-1H-pyrrole-2-carbonyl)oxyoctanoic acid is sourced from PubChem (CID 170988252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).