trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium

C13H16N2O6P+ — CID 167213382

IUPACtrihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium
SMILESCNCC(=O)Nc1ccc2c(C[P+](O)(O)O)cc(=O)oc2c1
InChIInChI=1S/C13H15N2O6P/c1-14-6-12(16)15-9-2-3-10-8(7-22(18,19)20)4-13(17)21-11(10)5-9/h2-5,14,18-20H,6-7H2,1H3/p+1
InChIKeyRLFRNWXUMPZADJ-UHFFFAOYSA-O
MW327.25 g/mol
LogP0.19
Rot. Bonds5

About trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium

trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium (PubChem CID 167213382) has the molecular formula C13H16N2O6P+ and a molecular weight of 327.25 g/mol. Its IUPAC name is trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium
PubChem CID167213382
Molecular FormulaC13H16N2O6P+
Molecular Weight327.25 g/mol
Exact Mass327.07
IUPAC Nametrihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium
SMILESCNCC(=O)Nc1ccc2c(C[P+](O)(O)O)cc(=O)oc2c1
InChIInChI=1S/C13H15N2O6P/c1-14-6-12(16)15-9-2-3-10-8(7-22(18,19)20)4-13(17)21-11(10)5-9/h2-5,14,18-20H,6-7H2,1H3/p+1
InChIKeyRLFRNWXUMPZADJ-UHFFFAOYSA-O
XLogP0.19
TPSA132.03 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 50.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium 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-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
N-(4-methyl-2-oxochromen-7-yl)-2-(piperidin-4-ylamino)acetamide
CID 134131876
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
[7-(heptanoylamino)-2-oxochromen-4-yl]methylphosphonic acid
CID 167213848
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180290
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
methyl N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate
CID 73353689
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-ethylbenzoate
CID 7775602

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium?
The IUPAC name of trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium (CID 167213382) is trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium.
What is the SMILES notation for trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium?
The canonical SMILES for trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium is CNCC(=O)Nc1ccc2c(C[P+](O)(O)O)cc(=O)oc2c1.
What is the InChIKey of trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium?
The InChIKey is RLFRNWXUMPZADJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15N2O6P/c1-14-6-12(16)15-9-2-3-10-8(7-22(18,19)20)4-13(17)21-11(10)5-9/h2-5,14,18-20H,6-7H2,1H3/p+1.
What are the key properties of trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium?
trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium has a molecular weight of 327.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[[7-[[2-(methylamino)acetyl]amino]-2-oxochromen-4-yl]methyl]phosphanium is sourced from PubChem (CID 167213382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).