3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid

C6H12NO7P — CID 154057194

IUPAC3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid
SMILESO=C(O)CCNCP(=O)(O)OCC(=O)O
InChIInChI=1S/C6H12NO7P/c8-5(9)1-2-7-4-15(12,13)14-3-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyLRBWZRCUQOKDCF-UHFFFAOYSA-N
MW241.14 g/mol
LogP-0.71
Rot. Bonds8

About 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid

3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid (PubChem CID 154057194) has the molecular formula C6H12NO7P and a molecular weight of 241.14 g/mol. Its IUPAC name is 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid
PubChem CID154057194
Molecular FormulaC6H12NO7P
Molecular Weight241.14 g/mol
Exact Mass241.04
IUPAC Name3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid
SMILESO=C(O)CCNCP(=O)(O)OCC(=O)O
InChIInChI=1S/C6H12NO7P/c8-5(9)1-2-7-4-15(12,13)14-3-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyLRBWZRCUQOKDCF-UHFFFAOYSA-N
XLogP-0.71
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
2-[bis(carboxymethoxy)phosphoryloxy]acetic acid
CID 87435835
3-(2-iodoethylamino)propanoic acid
CID 121405538
2-[hydroxy-[[(2-methylcyclopropanecarbonyl)oxymethoxycarbonylamino]methyl]phosphoryl]oxyacetic acid
CID 154296565
ethane;3-(propylamino)propanoic acid
CID 145416081
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
CID 172719967
CID 172719967
nitric acid;2-phosphonooxyacetic acid
CID 141120748
2-dimethoxyphosphoryloxyacetic acid
CID 88616837
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
azane;2-[carboxymethoxy(carboxymethyl)phosphoryl]oxyacetic acid
CID 174733310

Frequently Asked Questions

What is the IUPAC name of 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid?
The IUPAC name of 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid (CID 154057194) is 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid.
What is the SMILES notation for 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid?
The canonical SMILES for 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid is O=C(O)CCNCP(=O)(O)OCC(=O)O.
What is the InChIKey of 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid?
The InChIKey is LRBWZRCUQOKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO7P/c8-5(9)1-2-7-4-15(12,13)14-3-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid?
3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid has a molecular weight of 241.14 g/mol, XLogP of -0.71, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[carboxymethoxy(hydroxy)phosphoryl]methylamino]propanoic acid is sourced from PubChem (CID 154057194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).