4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione

C10H18N2O3 — CID 58799780

IUPAC4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione
SMILESCC(C)(C)[C@H](N)CN1C(=O)COCC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)7(11)4-12-8(13)5-15-6-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyDSAYKANOFDVAEM-SSDOTTSWSA-N
MW214.26 g/mol
LogP-0.25
Rot. Bonds2

About 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione

4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione (PubChem CID 58799780) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione
PubChem CID58799780
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione
SMILESCC(C)(C)[C@H](N)CN1C(=O)COCC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)7(11)4-12-8(13)5-15-6-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1
InChIKeyDSAYKANOFDVAEM-SSDOTTSWSA-N
XLogP-0.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethoxyethyl)morpholine-3,5-dione
CID 60976068
4-(3-aminobutyl)morpholine-3,5-dione
CID 61314093
1-(2-amino-3,3-dimethylbutyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43165250
4-ethylmorpholine-3,5-dione
CID 15506865
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
4-(3-bromo-2,2-dimethylpropyl)morpholine-3,5-dione
CID 64994662
1-(2-amino-3,3-dimethylbutyl)-3,4-dihydroquinolin-2-one
CID 16792075
3-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpropanoic acid
CID 79628980
2-[(3,5-dioxomorpholin-4-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368111
4-(3,5-dioxomorpholin-4-yl)-2,2-dimethylbutanethioamide
CID 65248821
4-(2-cyclopentyl-2-hydroxyethyl)morpholine-3,5-dione
CID 104753189
5-(3,5-dioxomorpholin-4-yl)-2,2-dimethylpentanethioamide
CID 65260157

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione?
The IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione (CID 58799780) is 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione is CC(C)(C)[C@H](N)CN1C(=O)COCC1=O.
What is the InChIKey of 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione?
The InChIKey is DSAYKANOFDVAEM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)7(11)4-12-8(13)5-15-6-9(12)14/h7H,4-6,11H2,1-3H3/t7-/m1/s1.
What are the key properties of 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione?
4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione has a molecular weight of 214.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3,3-dimethylbutyl]morpholine-3,5-dione is sourced from PubChem (CID 58799780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).