4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide

C13H23N3O3 — CID 102629031

IUPAC4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N[C@@H]2CONC2=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-7-9(14)5-4-8(13(7,2)3)11(17)15-10-6-19-16-12(10)18/h7-10H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)/t7?,8?,9?,10-/m1/s1
InChIKeyTUDVHFFXGBGZQT-SYZWKDNESA-N
MW269.34 g/mol
LogP-0.07
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide (PubChem CID 102629031) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
PubChem CID102629031
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N[C@@H]2CONC2=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-7-9(14)5-4-8(13(7,2)3)11(17)15-10-6-19-16-12(10)18/h7-10H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)/t7?,8?,9?,10-/m1/s1
InChIKeyTUDVHFFXGBGZQT-SYZWKDNESA-N
XLogP-0.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide (CID 102629031) is 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)N[C@@H]2CONC2=O)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
The InChIKey is TUDVHFFXGBGZQT-SYZWKDNESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-7-9(14)5-4-8(13(7,2)3)11(17)15-10-6-19-16-12(10)18/h7-10H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)/t7?,8?,9?,10-/m1/s1.
What are the key properties of 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 102629031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).