3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide

C10H22N2O2 — CID 107218704

IUPAC3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
SMILESC[C@H](CO)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-7(6-13)12-8(14)9(2,3)10(4,5)11/h7,13H,6,11H2,1-5H3,(H,12,14)/t7-/m1/s1
InChIKeyQMHXWGOEXVMJOO-SSDOTTSWSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds4

About 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide (PubChem CID 107218704) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
PubChem CID107218704
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide
SMILESC[C@H](CO)NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-7(6-13)12-8(14)9(2,3)10(4,5)11/h7,13H,6,11H2,1-5H3,(H,12,14)/t7-/m1/s1
InChIKeyQMHXWGOEXVMJOO-SSDOTTSWSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide (CID 107218704) is 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide is C[C@H](CO)NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide?
The InChIKey is QMHXWGOEXVMJOO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(6-13)12-8(14)9(2,3)10(4,5)11/h7,13H,6,11H2,1-5H3,(H,12,14)/t7-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide?
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 107218704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).