heptanedioic acid;2-hydroxyacetic acid

C9H16O7 — CID 162181382

IUPACheptanedioic acid;2-hydroxyacetic acid
SMILESO=C(O)CCCCCC(=O)O.O=C(O)CO
InChIInChI=1S/C7H12O4.C2H4O3/c8-6(9)4-2-1-3-5-7(10)11;3-1-2(4)5/h1-5H2,(H,8,9)(H,10,11);3H,1H2,(H,4,5)
InChIKeyZPBLZTNQNWYSFE-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.17
Rot. Bonds7

About heptanedioic acid;2-hydroxyacetic acid

heptanedioic acid;2-hydroxyacetic acid (PubChem CID 162181382) has the molecular formula C9H16O7 and a molecular weight of 236.22 g/mol. Its IUPAC name is heptanedioic acid;2-hydroxyacetic acid.

Molecular Properties

Compound Nameheptanedioic acid;2-hydroxyacetic acid
PubChem CID162181382
Molecular FormulaC9H16O7
Molecular Weight236.22 g/mol
Exact Mass236.09
IUPAC Nameheptanedioic acid;2-hydroxyacetic acid
SMILESO=C(O)CCCCCC(=O)O.O=C(O)CO
InChIInChI=1S/C7H12O4.C2H4O3/c8-6(9)4-2-1-3-5-7(10)11;3-1-2(4)5/h1-5H2,(H,8,9)(H,10,11);3H,1H2,(H,4,5)
InChIKeyZPBLZTNQNWYSFE-UHFFFAOYSA-N
XLogP0.17
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
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
ethane-1,2-diol;heptanedioic acid
CID 130422873
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
heptanedioic acid;dihydrochloride
CID 87431923

Frequently Asked Questions

What is the IUPAC name of heptanedioic acid;2-hydroxyacetic acid?
The IUPAC name of heptanedioic acid;2-hydroxyacetic acid (CID 162181382) is heptanedioic acid;2-hydroxyacetic acid.
What is the SMILES notation for heptanedioic acid;2-hydroxyacetic acid?
The canonical SMILES for heptanedioic acid;2-hydroxyacetic acid is O=C(O)CCCCCC(=O)O.O=C(O)CO.
What is the InChIKey of heptanedioic acid;2-hydroxyacetic acid?
The InChIKey is ZPBLZTNQNWYSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.C2H4O3/c8-6(9)4-2-1-3-5-7(10)11;3-1-2(4)5/h1-5H2,(H,8,9)(H,10,11);3H,1H2,(H,4,5).
What are the key properties of heptanedioic acid;2-hydroxyacetic acid?
heptanedioic acid;2-hydroxyacetic acid has a molecular weight of 236.22 g/mol, XLogP of 0.17, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptanedioic acid;2-hydroxyacetic acid is sourced from PubChem (CID 162181382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).