(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide

C11H19N3O — CID 23645886

IUPAC(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)N(CC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14(7-6-12)8-4-5-8/h8-9H,4-5,7,13H2,1-3H3/t9-/m1/s1
InChIKeyWTNOSBRNUHGJFQ-SECBINFHSA-N
MW209.29 g/mol
LogP0.87
Rot. Bonds3

About (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide

(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide (PubChem CID 23645886) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide
PubChem CID23645886
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)N(CC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14(7-6-12)8-4-5-8/h8-9H,4-5,7,13H2,1-3H3/t9-/m1/s1
InChIKeyWTNOSBRNUHGJFQ-SECBINFHSA-N
XLogP0.87
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3-dimethylbutanamide
CID 23645882
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
(2S)-2-amino-N-(cyanomethyl)-N-cyclobutyl-3,3-dimethylbutanamide
CID 23645887
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645888
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
(2S)-2-amino-3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one
CID 61148520
(2S)-2-amino-N-[(1R)-1-cyanoethyl]-N,3,3-trimethylbutanamide
CID 23645889
(S)-2-amino-N,N-diethyl-3,3-dimethylbutanamide
CID 25067345
(2S)-2-amino-3,3-dimethyl-1-(pyrrolidin-1-yl)butan-1-one hydrochloride
CID 155977944
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-N-propan-2-ylbutanamide
CID 121522578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide (CID 23645886) is (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)N(CC#N)C1CC1.
What is the InChIKey of (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide?
The InChIKey is WTNOSBRNUHGJFQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,3)9(13)10(15)14(7-6-12)8-4-5-8/h8-9H,4-5,7,13H2,1-3H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide?
(2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(cyanomethyl)-N-cyclopropyl-3,3-dimethylbutanamide is sourced from PubChem (CID 23645886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).