(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide

C10H19N3O — CID 23645891

IUPAC(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-9(2,3)7(12)8(14)13-10(4,5)6-11/h7H,12H2,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyNBVNNEHXHZMMQL-SSDOTTSWSA-N
MW197.28 g/mol
LogP0.78
Rot. Bonds2

About (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide (PubChem CID 23645891) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide
PubChem CID23645891
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C#N)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-9(2,3)7(12)8(14)13-10(4,5)6-11/h7H,12H2,1-5H3,(H,13,14)/t7-/m1/s1
InChIKeyNBVNNEHXHZMMQL-SSDOTTSWSA-N
XLogP0.78
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide (CID 23645891) is (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide is CC(C)(C#N)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is NBVNNEHXHZMMQL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2,3)7(12)8(14)13-10(4,5)6-11/h7H,12H2,1-5H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanopropan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 23645891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).