1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea

C9H17N3O3 — CID 59006480

IUPAC1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
SMILESCNC(=O)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-7(11-9(14)10-2)8(13)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3,(H2,10,11,14)/t7-/m0/s1
InChIKeyQGTNZUAESDTQRU-ZETCQYMHSA-N
MW215.25 g/mol
LogP-0.84
Rot. Bonds2

About 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea

1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea (PubChem CID 59006480) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
PubChem CID59006480
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea
SMILESCNC(=O)N[C@@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C9H17N3O3/c1-7(11-9(14)10-2)8(13)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3,(H2,10,11,14)/t7-/m0/s1
InChIKeyQGTNZUAESDTQRU-ZETCQYMHSA-N
XLogP-0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The IUPAC name of 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea (CID 59006480) is 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The canonical SMILES for 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea is CNC(=O)N[C@@H](C)C(=O)N1CCOCC1.
What is the InChIKey of 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
The InChIKey is QGTNZUAESDTQRU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-7(11-9(14)10-2)8(13)12-3-5-15-6-4-12/h7H,3-6H2,1-2H3,(H2,10,11,14)/t7-/m0/s1.
What are the key properties of 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea?
1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea has a molecular weight of 215.25 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]urea is sourced from PubChem (CID 59006480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).