(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide

C13H25N3O — CID 61174632

IUPAC(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-11(4)12(15)13(17)16(8-6-7-14)9-10(2)3/h10-12H,5-6,8-9,15H2,1-4H3/t11?,12-/m0/s1
InChIKeyRFFQNNGFJNKFAD-KIYNQFGBSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds7

About (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide

(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide (PubChem CID 61174632) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
PubChem CID61174632
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(CCC#N)CC(C)C
InChIInChI=1S/C13H25N3O/c1-5-11(4)12(15)13(17)16(8-6-7-14)9-10(2)3/h10-12H,5-6,8-9,15H2,1-4H3/t11?,12-/m0/s1
InChIKeyRFFQNNGFJNKFAD-KIYNQFGBSA-N
XLogP1.76
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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)-N,3-dimethylpentanamide
CID 61174046
(2R)-2-amino-N-(2-cyanoethyl)-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 103929355
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)butanediamide
CID 54873716
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-sulfanylpropanamide
CID 107026876
N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pentanamide
CID 60659959
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
(2R)-2-amino-N-(2-cyanoethyl)-N-ethyl-3-methylbutanamide
CID 79012369
2-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 54873679
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide (CID 61174632) is (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide is CCC(C)[C@H](N)C(=O)N(CCC#N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide?
The InChIKey is RFFQNNGFJNKFAD-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11(4)12(15)13(17)16(8-6-7-14)9-10(2)3/h10-12H,5-6,8-9,15H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide?
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide has a molecular weight of 239.36 g/mol, XLogP of 1.76, 7 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)-3-methyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 61174632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).