N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine

C7H19N2O3P — CID 173458386

IUPACN,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine
SMILESCNC.C[C@H]1O[C@H]1P(=O)(O)N(C)C
InChIInChI=1S/C5H12NO3P.C2H7N/c1-4-5(9-4)10(7,8)6(2)3;1-3-2/h4-5H,1-3H3,(H,7,8);3H,1-2H3/t4-,5+;/m1./s1
InChIKeyKLKRETZMJCXMGJ-JBUOLDKXSA-N
MW210.21 g/mol
LogP0.31
Rot. Bonds2

About N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine

N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine (PubChem CID 173458386) has the molecular formula C7H19N2O3P and a molecular weight of 210.21 g/mol. Its IUPAC name is N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine
PubChem CID173458386
Molecular FormulaC7H19N2O3P
Molecular Weight210.21 g/mol
Exact Mass210.11
IUPAC NameN,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine
SMILESCNC.C[C@H]1O[C@H]1P(=O)(O)N(C)C
InChIInChI=1S/C5H12NO3P.C2H7N/c1-4-5(9-4)10(7,8)6(2)3;1-3-2/h4-5H,1-3H3,(H,7,8);3H,1-2H3/t4-,5+;/m1./s1
InChIKeyKLKRETZMJCXMGJ-JBUOLDKXSA-N
XLogP0.31
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine?
The IUPAC name of N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine (CID 173458386) is N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine.
What is the SMILES notation for N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine?
The canonical SMILES for N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine is CNC.C[C@H]1O[C@H]1P(=O)(O)N(C)C.
What is the InChIKey of N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine?
The InChIKey is KLKRETZMJCXMGJ-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H12NO3P.C2H7N/c1-4-5(9-4)10(7,8)6(2)3;1-3-2/h4-5H,1-3H3,(H,7,8);3H,1-2H3/t4-,5+;/m1./s1.
What are the key properties of N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine?
N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine has a molecular weight of 210.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-[(2S,3R)-3-methyloxiran-2-yl]phosphonamidic acid;N-methylmethanamine is sourced from PubChem (CID 173458386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).