N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

C16H28N4O4 — CID 59959652

IUPACN-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22)/t10-,11?,16?/m1/s1
InChIKeyLASKVCDGFHNZAJ-VHTNMKBUSA-N
MW340.42 g/mol
LogP0.06
Rot. Bonds4

About N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide

N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (PubChem CID 59959652) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
PubChem CID59959652
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC NameN-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide
SMILESCC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1
InChIInChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22)/t10-,11?,16?/m1/s1
InChIKeyLASKVCDGFHNZAJ-VHTNMKBUSA-N
XLogP0.06
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The IUPAC name of N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide (CID 59959652) is N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide.
What is the SMILES notation for N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The canonical SMILES for N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is CC[C@@H](NC(=O)C(C)(C)N)C(=O)N1CCC2OC(=O)N(C)C2(C)C1.
What is the InChIKey of N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
The InChIKey is LASKVCDGFHNZAJ-VHTNMKBUSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-6-10(18-13(22)15(2,3)17)12(21)20-8-7-11-16(4,9-20)19(5)14(23)24-11/h10-11H,6-9,17H2,1-5H3,(H,18,22)/t10-,11?,16?/m1/s1.
What are the key properties of N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide?
N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,3a-dimethyl-2-oxo-4,6,7,7a-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-5-yl)-1-oxobutan-2-yl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 59959652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).