(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide

C11H22N2O2 — CID 104865232

IUPAC(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
SMILESCC1(NC(=O)[C@H](N)C(C)(C)C)CCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)8(12)9(14)13-11(4)5-6-15-7-11/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11?/m0/s1
InChIKeyXASFBHDJTCLSTQ-YMNIQAILSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide (PubChem CID 104865232) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
PubChem CID104865232
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
SMILESCC1(NC(=O)[C@H](N)C(C)(C)C)CCOC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)8(12)9(14)13-11(4)5-6-15-7-11/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11?/m0/s1
InChIKeyXASFBHDJTCLSTQ-YMNIQAILSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide (CID 104865232) is (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide is CC1(NC(=O)[C@H](N)C(C)(C)C)CCOC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide?
The InChIKey is XASFBHDJTCLSTQ-YMNIQAILSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)8(12)9(14)13-11(4)5-6-15-7-11/h8H,5-7,12H2,1-4H3,(H,13,14)/t8-,11?/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide is sourced from PubChem (CID 104865232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).