[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid

C6H15NO7P2 — CID 162426224

IUPAC[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCC(C)C(=O)N(CP(=O)(O)O)CP(=O)(O)O
InChIInChI=1S/C6H15NO7P2/c1-5(2)6(8)7(3-15(9,10)11)4-16(12,13)14/h5H,3-4H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
InChIKeyIWCNMVKCAVQXGZ-UHFFFAOYSA-N
MW275.13 g/mol
LogP-0.26
Rot. Bonds5

About [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid

[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid (PubChem CID 162426224) has the molecular formula C6H15NO7P2 and a molecular weight of 275.13 g/mol. Its IUPAC name is [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid
PubChem CID162426224
Molecular FormulaC6H15NO7P2
Molecular Weight275.13 g/mol
Exact Mass275.03
IUPAC Name[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid
SMILESCC(C)C(=O)N(CP(=O)(O)O)CP(=O)(O)O
InChIInChI=1S/C6H15NO7P2/c1-5(2)6(8)7(3-15(9,10)11)4-16(12,13)14/h5H,3-4H2,1-2H3,(H2,9,10,11)(H2,12,13,14)
InChIKeyIWCNMVKCAVQXGZ-UHFFFAOYSA-N
XLogP-0.26
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic 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

[bis[(2S)-2-aminopropanoyl]amino]methylphosphonic acid
CID 87262460
[[(2S)-6-amino-2-(methylamino)hexanoyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 140554538
(4S)-5-[bis(phosphonomethyl)amino]-4-(hydroxyamino)-5-oxopentanoic acid
CID 87479151
(2S)-2-[bis(phosphonomethyl)amino]-3-methylbutanoic acid
CID 87461807
[carbamoyl(propyl)amino]methylphosphonic acid
CID 87653708
[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
2-[2-(dimethylamino)ethyl-(2-methylpropanoyl)amino]acetic acid
CID 103802734
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
N-(2-chloroethyl)-N-ethyl-2-methylpropanamide
CID 63395001
[ethyl(2-methylbutanoyl)amino]phosphonic acid
CID 87900288
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
[[(2S)-5-(carbamoylamino)-2-(hydroxyamino)pentanoyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 140554594

Frequently Asked Questions

What is the IUPAC name of [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid?
The IUPAC name of [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid (CID 162426224) is [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid.
What is the SMILES notation for [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid?
The canonical SMILES for [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid is CC(C)C(=O)N(CP(=O)(O)O)CP(=O)(O)O.
What is the InChIKey of [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid?
The InChIKey is IWCNMVKCAVQXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO7P2/c1-5(2)6(8)7(3-15(9,10)11)4-16(12,13)14/h5H,3-4H2,1-2H3,(H2,9,10,11)(H2,12,13,14).
What are the key properties of [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid?
[2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid has a molecular weight of 275.13 g/mol, XLogP of -0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropanoyl(phosphonomethyl)amino]methylphosphonic acid is sourced from PubChem (CID 162426224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).