N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

C11H22N2O2 — CID 28585328

IUPACN-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESCC[C@H](C)NC(=O)CNC[C@H]1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAIJHNNRIKSZFLX-VHSXEESVSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (PubChem CID 28585328) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
PubChem CID28585328
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESCC[C@H](C)NC(=O)CNC[C@H]1CCCO1
InChIInChI=1S/C11H22N2O2/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAIJHNNRIKSZFLX-VHSXEESVSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
N-[1-(4-fluorophenyl)propan-2-yl]-2-(oxolan-2-ylmethylamino)acetamide
CID 86780191
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(3-methylbutyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60671403
N-methyl-2-(oxolan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 43180164
4-N-butan-2-yl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109145407
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (CID 28585328) is N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is CC[C@H](C)NC(=O)CNC[C@H]1CCCO1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is AIJHNNRIKSZFLX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-9(2)13-11(14)8-12-7-10-5-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 28585328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).