methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate

C4H11NO3P2 — CID 126656088

IUPACmethyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](O)CN(P)P
InChIInChI=1S/C4H11NO3P2/c1-8-4(7)3(6)2-5(9)10/h3,6H,2,9-10H2,1H3/t3-/m0/s1
InChIKeyNCPMAUBSOVEASF-VKHMYHEASA-N
MW183.08 g/mol
LogP-0.60
Rot. Bonds3

About methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate

methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate (PubChem CID 126656088) has the molecular formula C4H11NO3P2 and a molecular weight of 183.08 g/mol. Its IUPAC name is methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
PubChem CID126656088
Molecular FormulaC4H11NO3P2
Molecular Weight183.08 g/mol
Exact Mass183.02
IUPAC Namemethyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](O)CN(P)P
InChIInChI=1S/C4H11NO3P2/c1-8-4(7)3(6)2-5(9)10/h3,6H,2,9-10H2,1H3/t3-/m0/s1
InChIKeyNCPMAUBSOVEASF-VKHMYHEASA-N
XLogP-0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate (CID 126656088) is methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate is COC(=O)[C@@H](O)CN(P)P.
What is the InChIKey of methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate?
The InChIKey is NCPMAUBSOVEASF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H11NO3P2/c1-8-4(7)3(6)2-5(9)10/h3,6H,2,9-10H2,1H3/t3-/m0/s1.
What are the key properties of methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate?
methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate has a molecular weight of 183.08 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[bis(phosphanyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 126656088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).