(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide

C10H19N3O — CID 61174046

IUPAC(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-4-8(2)9(12)10(14)13(3)7-5-6-11/h8-9H,4-5,7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyJOMYQUHIDLMQJR-GKAPJAKFSA-N
MW197.28 g/mol
LogP0.73
Rot. Bonds5

About (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide

(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide (PubChem CID 61174046) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
PubChem CID61174046
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)CCC#N
InChIInChI=1S/C10H19N3O/c1-4-8(2)9(12)10(14)13(3)7-5-6-11/h8-9H,4-5,7,12H2,1-3H3/t8?,9-/m0/s1
InChIKeyJOMYQUHIDLMQJR-GKAPJAKFSA-N
XLogP0.73
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
(2S,3S)-2-amino-N-(3-methoxypropyl)-N,3-dimethylpentanamide
CID 63009481
2-amino-N,3-dimethyl-N-(2-methylsulfonylethyl)pentanamide
CID 79858979
2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
2-amino-N-(2-cyanoethyl)-N-methylbutanediamide
CID 60848278
2-amino-N-(cyclobutylmethyl)-N,3-dimethylpentanamide
CID 62862218
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
(2S,3S)-2-amino-N-(cyclohexylmethyl)-N,3-dimethylpentanamide
CID 61162838
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide (CID 61174046) is (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide is CCC(C)[C@H](N)C(=O)N(C)CCC#N.
What is the InChIKey of (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide?
The InChIKey is JOMYQUHIDLMQJR-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-8(2)9(12)10(14)13(3)7-5-6-11/h8-9H,4-5,7,12H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide?
(2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide has a molecular weight of 197.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanoethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 61174046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).