2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide

C12H25N3O2 — CID 124875467

IUPAC2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCC[C@@H](C)N1CCO[C@@H](CN(C)CC(N)=O)C1
InChIInChI=1S/C12H25N3O2/c1-4-10(2)15-5-6-17-11(8-15)7-14(3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyTUFMVHZYFLHCNJ-MNOVXSKESA-N
MW243.35 g/mol
LogP-0.10
Rot. Bonds6

About 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide

2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide (PubChem CID 124875467) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
PubChem CID124875467
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide
SMILESCC[C@@H](C)N1CCO[C@@H](CN(C)CC(N)=O)C1
InChIInChI=1S/C12H25N3O2/c1-4-10(2)15-5-6-17-11(8-15)7-14(3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyTUFMVHZYFLHCNJ-MNOVXSKESA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide (CID 124875467) is 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide is CC[C@@H](C)N1CCO[C@@H](CN(C)CC(N)=O)C1.
What is the InChIKey of 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide?
The InChIKey is TUFMVHZYFLHCNJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-10(2)15-5-6-17-11(8-15)7-14(3)9-12(13)16/h10-11H,4-9H2,1-3H3,(H2,13,16)/t10-,11+/m1/s1.
What are the key properties of 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide?
2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-[(2R)-butan-2-yl]morpholin-2-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 124875467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).