(2S)-2-acetamido-N-tert-butylpropanamide

C9H18N2O2 — CID 14753121

IUPAC(2S)-2-acetamido-N-tert-butylpropanamide
SMILESCC(=O)N[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyQUIPUVILMYWSJS-LURJTMIESA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds2

About (2S)-2-acetamido-N-tert-butylpropanamide

(2S)-2-acetamido-N-tert-butylpropanamide (PubChem CID 14753121) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-acetamido-N-tert-butylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-tert-butylpropanamide
PubChem CID14753121
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-acetamido-N-tert-butylpropanamide
SMILESCC(=O)N[C@@H](C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13)/t6-/m0/s1
InChIKeyQUIPUVILMYWSJS-LURJTMIESA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-tert-butylpropanamide?
The IUPAC name of (2S)-2-acetamido-N-tert-butylpropanamide (CID 14753121) is (2S)-2-acetamido-N-tert-butylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-N-tert-butylpropanamide?
The canonical SMILES for (2S)-2-acetamido-N-tert-butylpropanamide is CC(=O)N[C@@H](C)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-acetamido-N-tert-butylpropanamide?
The InChIKey is QUIPUVILMYWSJS-LURJTMIESA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-acetamido-N-tert-butylpropanamide?
(2S)-2-acetamido-N-tert-butylpropanamide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-tert-butylpropanamide is sourced from PubChem (CID 14753121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).