3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid

C10H17O6P — CID 71420350

IUPAC3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid
SMILESCOC(=O)CCP(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17O6P/c1-16-10(15)4-7-17(5-2-8(11)12)6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeySWVICPBDVHWCGL-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.98
Rot. Bonds9

About 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid

3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid (PubChem CID 71420350) has the molecular formula C10H17O6P and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid
PubChem CID71420350
Molecular FormulaC10H17O6P
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC Name3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid
SMILESCOC(=O)CCP(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C10H17O6P/c1-16-10(15)4-7-17(5-2-8(11)12)6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeySWVICPBDVHWCGL-UHFFFAOYSA-N
XLogP0.98
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-carboxyethyl-[3-[hydroxy-(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]phosphanyl]propanoic acid
CID 177300528
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrobromide
CID 172915831
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrate;hydrochloride
CID 87125828
iodomethane;4-methoxy-4-oxobutanoic acid
CID 87985757
methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate
CID 15272438
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;tert-butyl 3-oxobutanoate
CID 91357711
methyl 3-[[4-[bis(3-methoxy-3-oxopropyl)phosphanylmethyl]-2,3,5,6-tetramethylphenyl]methyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoate
CID 88822967
methane;4-[(4-methoxy-4-oxobutyl)-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;5-[(5-methoxy-5-oxopentyl)-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;3-[(3-methoxy-3-oxopropyl)-(3-oxo-3-propan-2-yloxypropyl)phosphanyl]propanoic acid;5-[5-oxohexyl-(5-oxo-5-propan-2-yloxypentyl)phosphanyl]pentanoic acid;4-[4-oxopentyl-(4-oxo-4-propan-2-yloxybutyl)phosphanyl]butanoic acid;tris(sulfur trioxide)
CID 167559060
4-methoxy-4-oxobutanoic acid;propa-1,2-diene
CID 174933165

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid (CID 71420350) is 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid is COC(=O)CCP(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid?
The InChIKey is SWVICPBDVHWCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O6P/c1-16-10(15)4-7-17(5-2-8(11)12)6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid?
3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid has a molecular weight of 264.21 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid is sourced from PubChem (CID 71420350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).