(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

C6H14NO3P — CID 23416107

IUPAC(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@H]1CCO[P@@](=O)(N(C)C)O1
InChIInChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3/t6-,11-/m0/s1
InChIKeyXMTQJFYUASOATO-KGFZYKRKSA-N
MW179.16 g/mol
LogP1.48
Rot. Bonds1

About (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine

(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 23416107) has the molecular formula C6H14NO3P and a molecular weight of 179.16 g/mol. Its IUPAC name is (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound Name(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID23416107
Molecular FormulaC6H14NO3P
Molecular Weight179.16 g/mol
Exact Mass179.07
IUPAC Name(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@H]1CCO[P@@](=O)(N(C)C)O1
InChIInChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3/t6-,11-/m0/s1
InChIKeyXMTQJFYUASOATO-KGFZYKRKSA-N
XLogP1.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine 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

Ethyl isopropyl dimethylamidophosphate
CID 523227
Dimethyl-(4-methyl-2-thioxo-[1,3,2]dioxaphosphinan-2-yl)-amine
CID 606793
2-Dimethylamino-2-oxo-4-methyl-1,3,2-dioxaphosphorinane
CID 13204282
N-[methoxy(propan-2-yloxy)phosphoryl]-N-methylmethanamine
CID 85645257
N,N-dimethyl phosphoramido chloridic acid isopropyl ester
CID 129729030
N,N-diethyl-4-methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 247504
cis-2-Dimethylamino-2-oxo-4-methyl-1,3,2-dioxaphosphorinane
CID 541906
N,N,4,6-tetramethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 23413505
N,N-dimethyl-propan-2-yloxyphosphonamidic acid
CID 14117490
4-Methyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 72973952
4-ethynyl-N,N-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 89445930
Dimethylamino-oxo-propan-2-yloxyphosphanium
CID 132046108

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine (CID 23416107) is (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is C[C@H]1CCO[P@@](=O)(N(C)C)O1.
What is the InChIKey of (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is XMTQJFYUASOATO-KGFZYKRKSA-N. The full InChI is InChI=1S/C6H14NO3P/c1-6-4-5-9-11(8,10-6)7(2)3/h6H,4-5H2,1-3H3/t6-,11-/m0/s1.
What are the key properties of (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine?
(2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 179.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,N,4-trimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 23416107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).