methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate

C12H22N2O3 — CID 134981542

IUPACmethyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-8(2)14-7-6-10(13(4)12(14)16)9(3)11(15)17-5/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeySSTIWSHSHLNUGK-ZJUUUORDSA-N
MW242.32 g/mol
LogP1.33
Rot. Bonds3

About methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate

methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate (PubChem CID 134981542) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate
PubChem CID134981542
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@@H]1CCN(C(C)C)C(=O)N1C
InChIInChI=1S/C12H22N2O3/c1-8(2)14-7-6-10(13(4)12(14)16)9(3)11(15)17-5/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKeySSTIWSHSHLNUGK-ZJUUUORDSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate (CID 134981542) is methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate is COC(=O)[C@H](C)[C@@H]1CCN(C(C)C)C(=O)N1C.
What is the InChIKey of methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate?
The InChIKey is SSTIWSHSHLNUGK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14-7-6-10(13(4)12(14)16)9(3)11(15)17-5/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1.
What are the key properties of methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate?
methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4S)-3-methyl-2-oxo-1-propan-2-yl-1,3-diazinan-4-yl]propanoate is sourced from PubChem (CID 134981542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).