(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione

C10H17NO3 — CID 91141211

IUPAC(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C(C)C)OC1=O
InChIInChI=1S/C10H17NO3/c1-5(2)7-10(13)14-8(6(3)4)9(12)11-7/h5-8H,1-4H3,(H,11,12)/t7-,8+/m0/s1
InChIKeySMZTXTWGCUBBKE-JGVFFNPUSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds2

About (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione

(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione (PubChem CID 91141211) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione.

Molecular Properties

Compound Name(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione
PubChem CID91141211
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C(C)C)OC1=O
InChIInChI=1S/C10H17NO3/c1-5(2)7-10(13)14-8(6(3)4)9(12)11-7/h5-8H,1-4H3,(H,11,12)/t7-,8+/m0/s1
InChIKeySMZTXTWGCUBBKE-JGVFFNPUSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dimethylmorpholine-2,3-dione
CID 3469206
Enniatin B2
CID 44559513
ethyl (2S)-2-acetamido-3-methylbutanoate
CID 12258762
N-acetylvaline isopropyl ester
CID 14179079
Octa-valinomycin
CID 193490
Enniatin-B2
CID 75069491
Enniatin-B3
CID 139585593
Talaromorpholinone
CID 170989504
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
Methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate
CID 73120908

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione?
The IUPAC name of (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione (CID 91141211) is (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione.
What is the SMILES notation for (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione?
The canonical SMILES for (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione is CC(C)[C@@H]1NC(=O)[C@@H](C(C)C)OC1=O.
What is the InChIKey of (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione?
The InChIKey is SMZTXTWGCUBBKE-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5(2)7-10(13)14-8(6(3)4)9(12)11-7/h5-8H,1-4H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione?
(3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3,6-di(propan-2-yl)morpholine-2,5-dione is sourced from PubChem (CID 91141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).