1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid

C11H21O5P — CID 54082256

IUPAC1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
SMILESCCOP(=O)(CC1(C(=O)O)CCCC1)OCC
InChIInChI=1S/C11H21O5P/c1-3-15-17(14,16-4-2)9-11(10(12)13)7-5-6-8-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyMNYCXNHVBLNYPR-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.90
Rot. Bonds7

About 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid

1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 54082256) has the molecular formula C11H21O5P and a molecular weight of 264.26 g/mol. Its IUPAC name is 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
PubChem CID54082256
Molecular FormulaC11H21O5P
Molecular Weight264.26 g/mol
Exact Mass264.11
IUPAC Name1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid
SMILESCCOP(=O)(CC1(C(=O)O)CCCC1)OCC
InChIInChI=1S/C11H21O5P/c1-3-15-17(14,16-4-2)9-11(10(12)13)7-5-6-8-11/h3-9H2,1-2H3,(H,12,13)
InChIKeyMNYCXNHVBLNYPR-UHFFFAOYSA-N
XLogP2.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxymethyl)cyclobutane-1-carboxylic acid
CID 97033935
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(2-diethoxyphosphorylethyl)cyclohexan-1-ol
CID 155934132
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
2-[(3S)-3-[[1-(diethoxyphosphorylmethyl)cyclopentanecarbonyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid
CID 15859182
3-ethyl-1,1-dioxothiane-3-carboxylic acid
CID 84779128
azanium 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 2840419
1-(sulfanylmethyl)cyclopentane-1-carboxylic acid
CID 123782340
1-[(methoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 23530558
1-(diethylaminomethyl)cyclohexane-1-carboxylic acid
CID 62272290
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987

Frequently Asked Questions

What is the IUPAC name of 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid (CID 54082256) is 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid is CCOP(=O)(CC1(C(=O)O)CCCC1)OCC.
What is the InChIKey of 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is MNYCXNHVBLNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5P/c1-3-15-17(14,16-4-2)9-11(10(12)13)7-5-6-8-11/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid?
1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 264.26 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethoxyphosphorylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54082256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).