2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid

C9H16NO3P — CID 87825468

IUPAC2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
SMILESC=CCP(=O)(CC=C)CNCC(=O)O
InChIInChI=1S/C9H16NO3P/c1-3-5-14(13,6-4-2)8-10-7-9(11)12/h3-4,10H,1-2,5-8H2,(H,11,12)
InChIKeyMDLKIAPCZJQJQS-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.35
Rot. Bonds8

About 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid

2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid (PubChem CID 87825468) has the molecular formula C9H16NO3P and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
PubChem CID87825468
Molecular FormulaC9H16NO3P
Molecular Weight217.20 g/mol
Exact Mass217.09
IUPAC Name2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid
SMILESC=CCP(=O)(CC=C)CNCC(=O)O
InChIInChI=1S/C9H16NO3P/c1-3-5-14(13,6-4-2)8-10-7-9(11)12/h3-4,10H,1-2,5-8H2,(H,11,12)
InChIKeyMDLKIAPCZJQJQS-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
azane;2-(phosphonomethylamino)acetic acid
CID 11615303
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
sodium (carboxymethylamino)methyl-hydroxyphosphinate
CID 23677848
2-(carboxymethylamino)acetic acid
CID 8897
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
2-(ethylamino)acetic acid;prop-2-en-1-amine
CID 88933155
2-(carboxymethylamino)acetic acid;cobalt
CID 87306494
3-diethylphosphorylprop-1-ene
CID 13431646
2-(prop-2-enylamino)acetic acid;pyrimidine
CID 67804683
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid?
The IUPAC name of 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid (CID 87825468) is 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid is C=CCP(=O)(CC=C)CNCC(=O)O.
What is the InChIKey of 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid?
The InChIKey is MDLKIAPCZJQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO3P/c1-3-5-14(13,6-4-2)8-10-7-9(11)12/h3-4,10H,1-2,5-8H2,(H,11,12).
What are the key properties of 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid?
2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid has a molecular weight of 217.20 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)phosphorylmethylamino]acetic acid is sourced from PubChem (CID 87825468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).