3-(2-methylpropyl)morpholine-2,5-dione

C8H13NO3 — CID 19373527

IUPAC3-(2-methylpropyl)morpholine-2,5-dione
SMILESCC(C)CC1NC(=O)COC1=O
InChIInChI=1S/C8H13NO3/c1-5(2)3-6-8(11)12-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyXCJJDQSWJHACOM-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds2

About 3-(2-methylpropyl)morpholine-2,5-dione

3-(2-methylpropyl)morpholine-2,5-dione (PubChem CID 19373527) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)morpholine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)morpholine-2,5-dione
PubChem CID19373527
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(2-methylpropyl)morpholine-2,5-dione
SMILESCC(C)CC1NC(=O)COC1=O
InChIInChI=1S/C8H13NO3/c1-5(2)3-6-8(11)12-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyXCJJDQSWJHACOM-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-acetyl-L-leucinate
CID 6950952
Ethyl 2-acetamido-4-methylpentanoate
CID 322674
(5S)-5-(2-methylpropyl)morpholin-3-one
CID 15225763
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 44322913
3-Isopropylmorpholine-2,5-dione
CID 45096033
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
(S)-Ethyl 2-acetamido-4-methylpentanoate
CID 1549286
DL-Leucine, N-acetyl-, methyl ester
CID 559809
Methyl (2R)-2-acetamido-4-methylpentanoate
CID 13220699
4-Methyl-3-(2-methylpropyl)-6-isopropyl-2,5-dioxomorpholine
CID 535926
(3S)-3-propan-2-ylmorpholine-2,5-dione
CID 10997296
Ethyl 4-methyl-2-(2-methylpropanoylamino)pentanoate
CID 22954033

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)morpholine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)morpholine-2,5-dione (CID 19373527) is 3-(2-methylpropyl)morpholine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)morpholine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)morpholine-2,5-dione is CC(C)CC1NC(=O)COC1=O.
What is the InChIKey of 3-(2-methylpropyl)morpholine-2,5-dione?
The InChIKey is XCJJDQSWJHACOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)3-6-8(11)12-4-7(10)9-6/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-(2-methylpropyl)morpholine-2,5-dione?
3-(2-methylpropyl)morpholine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)morpholine-2,5-dione is sourced from PubChem (CID 19373527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).