(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide

C15H29N3O3 — CID 102743749

IUPAC(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H29N3O3/c1-10(2)12(16)13(20)17-7-11(19)18-8-14(3,4)21-15(5,6)9-18/h10,12H,7-9,16H2,1-6H3,(H,17,20)/t12-/m0/s1
InChIKeyKOEJIPKGRIIQGD-LBPRGKRZSA-N
MW299.42 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide (PubChem CID 102743749) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide
PubChem CID102743749
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H29N3O3/c1-10(2)12(16)13(20)17-7-11(19)18-8-14(3,4)21-15(5,6)9-18/h10,12H,7-9,16H2,1-6H3,(H,17,20)/t12-/m0/s1
InChIKeyKOEJIPKGRIIQGD-LBPRGKRZSA-N
XLogP0.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide (CID 102743749) is (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide?
The InChIKey is KOEJIPKGRIIQGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)12(16)13(20)17-7-11(19)18-8-14(3,4)21-15(5,6)9-18/h10,12H,7-9,16H2,1-6H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide has a molecular weight of 299.42 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-oxo-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]butanamide is sourced from PubChem (CID 102743749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).