(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide

C13H25N3O — CID 103929355

IUPAC(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCC#N)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)9-16(8-6-7-14)12(17)11(15)13(3,4)5/h10-11H,6,8-9,15H2,1-5H3/t11-/m0/s1
InChIKeyLPXJNKUWRUYDOP-NSHDSACASA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds5

About (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide

(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide (PubChem CID 103929355) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
PubChem CID103929355
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CCC#N)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H25N3O/c1-10(2)9-16(8-6-7-14)12(17)11(15)13(3,4)5/h10-11H,6,8-9,15H2,1-5H3/t11-/m0/s1
InChIKeyLPXJNKUWRUYDOP-NSHDSACASA-N
XLogP1.76
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162671
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 60963440
(2R)-2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)propanamide
CID 78973558
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
N-(2-cyanoethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 60659898
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
2-amino-N-(2-cyanoethyl)-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79804815
(2R)-2-amino-N,N-bis(2-cyanoethyl)-4-methylpentanamide
CID 93376202
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide (CID 103929355) is (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide is CC(C)CN(CCC#N)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is LPXJNKUWRUYDOP-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)9-16(8-6-7-14)12(17)11(15)13(3,4)5/h10-11H,6,8-9,15H2,1-5H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide?
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 239.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 103929355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).