3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide

C10H22N2O2 — CID 79250532

IUPAC3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](CO)NC(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-7(2)8(6-13)12-9(14)5-10(3,4)11/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyHXLZMKOYIJGDBC-MRVPVSSYSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds5

About 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide

3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide (PubChem CID 79250532) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
PubChem CID79250532
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@@H](CO)NC(=O)CC(C)(C)N
InChIInChI=1S/C10H22N2O2/c1-7(2)8(6-13)12-9(14)5-10(3,4)11/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyHXLZMKOYIJGDBC-MRVPVSSYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide (CID 79250532) is 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide is CC(C)[C@@H](CO)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
The InChIKey is HXLZMKOYIJGDBC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-7(2)8(6-13)12-9(14)5-10(3,4)11/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-/m1/s1.
What are the key properties of 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide?
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 79250532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).