(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide

C10H21NO2 — CID 139253868

IUPAC(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)[C@@H](CO)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-11-10(13)9(6-12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1
InChIKeyQFIBXNNLJNWOHT-VIFPVBQESA-N
MW187.28 g/mol
LogP1.02
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide

(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide (PubChem CID 139253868) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide
PubChem CID139253868
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CNC(=O)[C@@H](CO)C(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)5-11-10(13)9(6-12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1
InChIKeyQFIBXNNLJNWOHT-VIFPVBQESA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide (CID 139253868) is (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide is CC(C)CNC(=O)[C@@H](CO)C(C)C.
What is the InChIKey of (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is QFIBXNNLJNWOHT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)5-11-10(13)9(6-12)8(3)4/h7-9,12H,5-6H2,1-4H3,(H,11,13)/t9-/m0/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide?
(2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 187.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 139253868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).