7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid

C11H17NO4 — CID 67102420

IUPAC7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1cc(O)cc1O
InChIInChI=1S/C11H17NO4/c13-9-7-10(14)12(8-9)6-4-2-1-3-5-11(15)16/h7-8,13-14H,1-6H2,(H,15,16)
InChIKeyYBQFQHXYDJMLHA-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.93
Rot. Bonds7

About 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid

7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid (PubChem CID 67102420) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid.

Molecular Properties

Compound Name7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid
PubChem CID67102420
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid
SMILESO=C(O)CCCCCCn1cc(O)cc1O
InChIInChI=1S/C11H17NO4/c13-9-7-10(14)12(8-9)6-4-2-1-3-5-11(15)16/h7-8,13-14H,1-6H2,(H,15,16)
InChIKeyYBQFQHXYDJMLHA-UHFFFAOYSA-N
XLogP1.93
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octanedioic acid;zinc
CID 87285694
5-(2,5-dihydroxypyrrol-1-yl)pentanoic acid
CID 54349223
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
6-(3,4-dibromo-2,5-dihydroxypyrrol-1-yl)hexanoic acid
CID 123154690

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid?
The IUPAC name of 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid (CID 67102420) is 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid.
What is the SMILES notation for 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid?
The canonical SMILES for 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid is O=C(O)CCCCCCn1cc(O)cc1O.
What is the InChIKey of 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid?
The InChIKey is YBQFQHXYDJMLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c13-9-7-10(14)12(8-9)6-4-2-1-3-5-11(15)16/h7-8,13-14H,1-6H2,(H,15,16).
What are the key properties of 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid?
7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dihydroxypyrrol-1-yl)heptanoic acid is sourced from PubChem (CID 67102420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).