2-(phosphepan-3-yl)acetic acid

C8H15O2P — CID 141089155

IUPAC2-(phosphepan-3-yl)acetic acid
SMILESO=C(O)CC1CCCCPC1
InChIInChI=1S/C8H15O2P/c9-8(10)5-7-3-1-2-4-11-6-7/h7,11H,1-6H2,(H,9,10)
InChIKeySSSGQXBNXHDFAK-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.94
Rot. Bonds2

About 2-(phosphepan-3-yl)acetic acid

2-(phosphepan-3-yl)acetic acid (PubChem CID 141089155) has the molecular formula C8H15O2P and a molecular weight of 174.18 g/mol. Its IUPAC name is 2-(phosphepan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(phosphepan-3-yl)acetic acid
PubChem CID141089155
Molecular FormulaC8H15O2P
Molecular Weight174.18 g/mol
Exact Mass174.08
IUPAC Name2-(phosphepan-3-yl)acetic acid
SMILESO=C(O)CC1CCCCPC1
InChIInChI=1S/C8H15O2P/c9-8(10)5-7-3-1-2-4-11-6-7/h7,11H,1-6H2,(H,9,10)
InChIKeySSSGQXBNXHDFAK-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;2-cyclohexylacetic acid;iron
CID 67746719
potassium;2-cyclohexylacetic acid;hydride
CID 174261063
2-cyclohexylacetic acid;sulfuric acid
CID 174433718
2-cyclohexylacetic acid;ethane;methanamine
CID 176577797
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-[3-(cyclooctylmethoxy)cyclodecyl]acetic acid
CID 134457154
2-[8-(cyclopentylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606577
2-spiro[4.5]decan-9-ylacetic acid
CID 150402729
2-(1-cycloheptylpiperidin-3-yl)acetic acid
CID 65060458
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637
2-(2-cyclopentyl-1,3-diazinan-5-yl)acetic acid
CID 22147546

Frequently Asked Questions

What is the IUPAC name of 2-(phosphepan-3-yl)acetic acid?
The IUPAC name of 2-(phosphepan-3-yl)acetic acid (CID 141089155) is 2-(phosphepan-3-yl)acetic acid.
What is the SMILES notation for 2-(phosphepan-3-yl)acetic acid?
The canonical SMILES for 2-(phosphepan-3-yl)acetic acid is O=C(O)CC1CCCCPC1.
What is the InChIKey of 2-(phosphepan-3-yl)acetic acid?
The InChIKey is SSSGQXBNXHDFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O2P/c9-8(10)5-7-3-1-2-4-11-6-7/h7,11H,1-6H2,(H,9,10).
What are the key properties of 2-(phosphepan-3-yl)acetic acid?
2-(phosphepan-3-yl)acetic acid has a molecular weight of 174.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphepan-3-yl)acetic acid is sourced from PubChem (CID 141089155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).