2-(1-oxo-1λ5-phospholan-1-yl)acetic acid

C6H11O3P — CID 155973567

IUPAC2-(1-oxo-1λ5-phospholan-1-yl)acetic acid
SMILESO=C(O)CP1(=O)CCCC1
InChIInChI=1S/C6H11O3P/c7-6(8)5-10(9)3-1-2-4-10/h1-5H2,(H,7,8)
InChIKeyPNDDEWGXCFJNQC-UHFFFAOYSA-N
MW162.12 g/mol
LogP1.23
Rot. Bonds2

About 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid

2-(1-oxo-1λ5-phospholan-1-yl)acetic acid (PubChem CID 155973567) has the molecular formula C6H11O3P and a molecular weight of 162.12 g/mol. Its IUPAC name is 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-oxo-1λ5-phospholan-1-yl)acetic acid
PubChem CID155973567
Molecular FormulaC6H11O3P
Molecular Weight162.12 g/mol
Exact Mass162.04
IUPAC Name2-(1-oxo-1λ5-phospholan-1-yl)acetic acid
SMILESO=C(O)CP1(=O)CCCC1
InChIInChI=1S/C6H11O3P/c7-6(8)5-10(9)3-1-2-4-10/h1-5H2,(H,7,8)
InChIKeyPNDDEWGXCFJNQC-UHFFFAOYSA-N
XLogP1.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butanedioic acid;cyclobutane
CID 157277656
1-(2-methylpropyl)-1λ5-phosphepane 1-oxide
CID 23117428
cyclohexane;ethane;propanoic acid
CID 143012181
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
CID 88684247
CID 88684247
carbonic acid;cyclohexane
CID 66586496
carbonic acid;cyclopentane
CID 121364221
azane;2-hydroxyacetic acid;zirconium
CID 173458110
heptakis(2-hydroxyacetic acid);yttrium;zirconium
CID 154733245
benzene;2-hydroxyacetic acid
CID 67764636
acetylene;2-hydroxyacetic acid
CID 158693227

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid?
The IUPAC name of 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid (CID 155973567) is 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid.
What is the SMILES notation for 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid?
The canonical SMILES for 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid is O=C(O)CP1(=O)CCCC1.
What is the InChIKey of 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid?
The InChIKey is PNDDEWGXCFJNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O3P/c7-6(8)5-10(9)3-1-2-4-10/h1-5H2,(H,7,8).
What are the key properties of 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid?
2-(1-oxo-1λ5-phospholan-1-yl)acetic acid has a molecular weight of 162.12 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1λ5-phospholan-1-yl)acetic acid is sourced from PubChem (CID 155973567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).