(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide

C9H16N2O — CID 79023372

IUPAC(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
SMILESC#CC(C)(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C9H16N2O/c1-5-7(10)8(12)11-9(3,4)6-2/h2,7H,5,10H2,1,3-4H3,(H,11,12)/t7-/m0/s1
InChIKeyDDGNFKJQEYJIAV-ZETCQYMHSA-N
MW168.24 g/mol
LogP0.25
Rot. Bonds3

About (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide

(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide (PubChem CID 79023372) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
PubChem CID79023372
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide
SMILESC#CC(C)(C)NC(=O)[C@@H](N)CC
InChIInChI=1S/C9H16N2O/c1-5-7(10)8(12)11-9(3,4)6-2/h2,7H,5,10H2,1,3-4H3,(H,11,12)/t7-/m0/s1
InChIKeyDDGNFKJQEYJIAV-ZETCQYMHSA-N
XLogP0.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
2-methyl-3-(2-methylbut-3-yn-2-ylamino)-3-oxopropanoic acid
CID 114898512
3,3-dimethyl-2-(2-methylbut-3-yn-2-ylcarbamoyl)butanoic acid
CID 116537205
3-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)butanamide
CID 64677680
(2R)-2-amino-N-methylbutanamide
CID 14888796
3-amino-2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)propanamide
CID 115426741
2-amino-N-hex-5-ynylbutanamide
CID 103950447
2-amino-N-(2,2-dimethylbutyl)butanamide
CID 103461499
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)pent-4-ynamide
CID 106176289
3-(2-aminobutanoylamino)-2,2-dimethylpropanoic acid
CID 115427879
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide (CID 79023372) is (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide is C#CC(C)(C)NC(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide?
The InChIKey is DDGNFKJQEYJIAV-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7(10)8(12)11-9(3,4)6-2/h2,7H,5,10H2,1,3-4H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide?
(2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide has a molecular weight of 168.24 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methylbut-3-yn-2-yl)butanamide is sourced from PubChem (CID 79023372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).