phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate

C12H17N2O2P3 — CID 143981469

IUPACphosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate
SMILESCc1ccc2c(CC(C(=O)OP)N(P)P)c[nH]c2c1
InChIInChI=1S/C12H17N2O2P3/c1-7-2-3-9-8(6-13-10(9)4-7)5-11(14(17)18)12(15)16-19/h2-4,6,11,13H,5,17-19H2,1H3
InChIKeyKKJDXKWXTSQIFY-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.60
Rot. Bonds4

About phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate

phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate (PubChem CID 143981469) has the molecular formula C12H17N2O2P3 and a molecular weight of 314.20 g/mol. Its IUPAC name is phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namephosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate
PubChem CID143981469
Molecular FormulaC12H17N2O2P3
Molecular Weight314.20 g/mol
Exact Mass314.05
IUPAC Namephosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate
SMILESCc1ccc2c(CC(C(=O)OP)N(P)P)c[nH]c2c1
InChIInChI=1S/C12H17N2O2P3/c1-7-2-3-9-8(6-13-10(9)4-7)5-11(14(17)18)12(15)16-19/h2-4,6,11,13H,5,17-19H2,1H3
InChIKeyKKJDXKWXTSQIFY-UHFFFAOYSA-N
XLogP2.60
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 20841984
1-(6-methyl-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 117067481
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
azane;2-(6-methyl-1H-indol-3-yl)acetamide;2-(6-methyl-1H-indol-3-yl)acetic acid;hydrate
CID 160800096
(2S)-2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid
CID 175346965
2-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid;2-amino-3-(7-methyl-1H-indol-3-yl)propanoic acid
CID 175346966
3-(ethoxymethyl)-6-methyl-1H-indole
CID 117185692
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrate
CID 18530245
(2S)-2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;hydrochloride
CID 21122035
2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142449
3-(2,2-dimethylpropyl)-6-methyl-1H-indole
CID 129190941

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate?
The IUPAC name of phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate (CID 143981469) is phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate.
What is the SMILES notation for phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate?
The canonical SMILES for phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate is Cc1ccc2c(CC(C(=O)OP)N(P)P)c[nH]c2c1.
What is the InChIKey of phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate?
The InChIKey is KKJDXKWXTSQIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N2O2P3/c1-7-2-3-9-8(6-13-10(9)4-7)5-11(14(17)18)12(15)16-19/h2-4,6,11,13H,5,17-19H2,1H3.
What are the key properties of phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate?
phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate has a molecular weight of 314.20 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-[bis(phosphanyl)amino]-3-(6-methyl-1H-indol-3-yl)propanoate is sourced from PubChem (CID 143981469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).