2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid

C12H20NO3P — CID 129301942

IUPAC2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESC=PN1CCC(OCC2(C)CC2C(=O)O)CC1
InChIInChI=1S/C12H20NO3P/c1-12(7-10(12)11(14)15)8-16-9-3-5-13(17-2)6-4-9/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyYLTHNWZLZOXIMA-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid

2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 129301942) has the molecular formula C12H20NO3P and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID129301942
Molecular FormulaC12H20NO3P
Molecular Weight257.27 g/mol
Exact Mass257.12
IUPAC Name2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid
SMILESC=PN1CCC(OCC2(C)CC2C(=O)O)CC1
InChIInChI=1S/C12H20NO3P/c1-12(7-10(12)11(14)15)8-16-9-3-5-13(17-2)6-4-9/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyYLTHNWZLZOXIMA-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
CID 129278711
tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278282
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
CID 143699099
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
2-(furan-2-ylmethyl)-2-methylcyclopropane-1-carboxylic acid
CID 63086194
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119374902
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
CID 98041240
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid (CID 129301942) is 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid is C=PN1CCC(OCC2(C)CC2C(=O)O)CC1.
What is the InChIKey of 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid?
The InChIKey is YLTHNWZLZOXIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO3P/c1-12(7-10(12)11(14)15)8-16-9-3-5-13(17-2)6-4-9/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid?
2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methylidenephosphanylpiperidin-4-yl)oxymethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129301942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).