(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide

C10H19N3O — CID 23645888

IUPAC(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
SMILESC[C@@H](C#N)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8+/m0/s1
InChIKeyKNARVBXGIRZZRK-JGVFFNPUSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds2

About (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide

(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide (PubChem CID 23645888) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
PubChem CID23645888
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
SMILESC[C@@H](C#N)N(C)C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8+/m0/s1
InChIKeyKNARVBXGIRZZRK-JGVFFNPUSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide (CID 23645888) is (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide is C[C@@H](C#N)N(C)C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide?
The InChIKey is KNARVBXGIRZZRK-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(6-11)13(5)9(14)8(12)10(2,3)4/h7-8H,12H2,1-5H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide?
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 23645888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).