(3S)-3-propan-2-ylmorpholine-2,5-dione

C7H11NO3 — CID 10997296

IUPAC(3S)-3-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)COC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyUDAGOJYEKSFEOQ-LURJTMIESA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds1

About (3S)-3-propan-2-ylmorpholine-2,5-dione

(3S)-3-propan-2-ylmorpholine-2,5-dione (PubChem CID 10997296) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S)-3-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-propan-2-ylmorpholine-2,5-dione
PubChem CID10997296
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S)-3-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)COC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9)/t6-/m0/s1
InChIKeyUDAGOJYEKSFEOQ-LURJTMIESA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethylmorpholine-2,3-dione
CID 3469206
methyl N-acetylvalinate
CID 301593
Methyl N-acetyl-L-valinate
CID 638154
ethyl (2S)-2-acetamido-3-methylbutanoate
CID 12258762
(2S)-2-(2-methoxyacetamido)-3-methylbutanoic acid
CID 10058307
Methyl (2R)-2-acetamido-3-methylbutanoate
CID 11008407
3-Isopropylmorpholine-2,5-dione
CID 45096033
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
N-acetyl-dl-valine ethyl ester
CID 12258761
3-Methylmorpholine-2,5-dione
CID 11815872
3,6-Dimethylmorpholine-2,5-dione
CID 14972414
3-Isobutylmorpholine-2,5-dione
CID 19373527

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of (3S)-3-propan-2-ylmorpholine-2,5-dione (CID 10997296) is (3S)-3-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for (3S)-3-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for (3S)-3-propan-2-ylmorpholine-2,5-dione is CC(C)[C@@H]1NC(=O)COC1=O.
What is the InChIKey of (3S)-3-propan-2-ylmorpholine-2,5-dione?
The InChIKey is UDAGOJYEKSFEOQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9)/t6-/m0/s1.
What are the key properties of (3S)-3-propan-2-ylmorpholine-2,5-dione?
(3S)-3-propan-2-ylmorpholine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 10997296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).