(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide

C12H24N2O2 — CID 63705806

IUPAC(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyZMFIAQYOHWJXIX-UMJHXOGRSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide

(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide (PubChem CID 63705806) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide
PubChem CID63705806
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1
InChIKeyZMFIAQYOHWJXIX-UMJHXOGRSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide (CID 63705806) is (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide is CCC(C)[C@H](N)C(=O)NCC1CCOCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide?
The InChIKey is ZMFIAQYOHWJXIX-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9(2)11(13)12(15)14-8-10-4-6-16-7-5-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide?
(2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(oxan-4-ylmethyl)pentanamide is sourced from PubChem (CID 63705806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).