2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid

C9H17NO8P2 — CID 87495989

IUPAC2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
SMILESC=CC(N(C(C)C(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H17NO8P2/c1-4-7(19(13,14)15)10(6(3)9(11)12)8(5-2)20(16,17)18/h4-8H,1-2H2,3H3,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyAYFUXCBYQHZJJQ-UHFFFAOYSA-N
MW329.18 g/mol
LogP0.14
Rot. Bonds8

About 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid

2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid (PubChem CID 87495989) has the molecular formula C9H17NO8P2 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
PubChem CID87495989
Molecular FormulaC9H17NO8P2
Molecular Weight329.18 g/mol
Exact Mass329.04
IUPAC Name2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
SMILESC=CC(N(C(C)C(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C9H17NO8P2/c1-4-7(19(13,14)15)10(6(3)9(11)12)8(5-2)20(16,17)18/h4-8H,1-2H2,3H3,(H,11,12)(H2,13,14,15)(H2,16,17,18)
InChIKeyAYFUXCBYQHZJJQ-UHFFFAOYSA-N
XLogP0.14
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 50.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(1-phosphonoprop-2-enyl)amino]-3-methylbutanoic acid
CID 87492014
5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-5-oxopentanoic acid
CID 87490662
2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxy-3-methylbutanoic acid
CID 87493639
(2S)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanedioic acid
CID 87475629
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
(2S)-2-(1-phosphonoprop-2-enylamino)propanoic acid
CID 87479265
2-[bis(1-aminoethyl)amino]propanoic acid
CID 87525384
(2S)-2-[bis(phosphonomethyl)amino]-3-methylbutanoic acid
CID 87461807
(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid
CID 87501515
2,3,3-trimethylpent-4-enoic acid
CID 549584
5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
CID 87477675
1-phosphonoprop-2-enylphosphonic acid
CID 19843943

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid?
The IUPAC name of 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid (CID 87495989) is 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid.
What is the SMILES notation for 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid?
The canonical SMILES for 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid is C=CC(N(C(C)C(=O)O)C(C=C)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid?
The InChIKey is AYFUXCBYQHZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO8P2/c1-4-7(19(13,14)15)10(6(3)9(11)12)8(5-2)20(16,17)18/h4-8H,1-2H2,3H3,(H,11,12)(H2,13,14,15)(H2,16,17,18).
What are the key properties of 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid?
2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid has a molecular weight of 329.18 g/mol, XLogP of 0.14, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid is sourced from PubChem (CID 87495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).