7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid

C15H27NO4 — CID 59659393

IUPAC7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1C(=O)CCN1CCCCO
InChIInChI=1S/C15H27NO4/c17-12-6-5-10-16-11-9-14(18)13(16)7-3-1-2-4-8-15(19)20/h13,17H,1-12H2,(H,19,20)/t13-/m0/s1
InChIKeyMTKHDMCTIISCJX-ZDUSSCGKSA-N
MW285.38 g/mol
LogP1.83
Rot. Bonds11

About 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid

7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid (PubChem CID 59659393) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid.

Molecular Properties

Compound Name7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
PubChem CID59659393
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid
SMILESO=C(O)CCCCCC[C@H]1C(=O)CCN1CCCCO
InChIInChI=1S/C15H27NO4/c17-12-6-5-10-16-11-9-14(18)13(16)7-3-1-2-4-8-15(19)20/h13,17H,1-12H2,(H,19,20)/t13-/m0/s1
InChIKeyMTKHDMCTIISCJX-ZDUSSCGKSA-N
XLogP1.83
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.83
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

7-[1-[4-[1-(cyclopropylmethyl)cyclopropyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
CID 66993814
7-[1-[4-[1-(cyclopropylmethyl)cyclobutyl]-4-hydroxybutyl]-3-oxopyrrolidin-2-yl]heptanoic acid
CID 10150673
7-[3-(3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid
CID 12788630
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid?
The IUPAC name of 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid (CID 59659393) is 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid.
What is the SMILES notation for 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid?
The canonical SMILES for 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid is O=C(O)CCCCCC[C@H]1C(=O)CCN1CCCCO.
What is the InChIKey of 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid?
The InChIKey is MTKHDMCTIISCJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27NO4/c17-12-6-5-10-16-11-9-14(18)13(16)7-3-1-2-4-8-15(19)20/h13,17H,1-12H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid?
7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid has a molecular weight of 285.38 g/mol, XLogP of 1.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-(4-hydroxybutyl)-3-oxopyrrolidin-2-yl]heptanoic acid is sourced from PubChem (CID 59659393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).