(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide

C9H16N2O — CID 104921675

IUPAC(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
SMILESC#CC(C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-7(4)11-9(12)8(10)6(2)3/h1,6-8H,10H2,2-4H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyLKZPRYDEDBRORO-BRFYHDHCSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds3

About (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide

(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide (PubChem CID 104921675) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
PubChem CID104921675
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
SMILESC#CC(C)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H16N2O/c1-5-7(4)11-9(12)8(10)6(2)3/h1,6-8H,10H2,2-4H3,(H,11,12)/t7?,8-/m1/s1
InChIKeyLKZPRYDEDBRORO-BRFYHDHCSA-N
XLogP0.11
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 ≤ 50.11
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

2-amino-N-but-3-yn-2-ylpropanamide
CID 114417070
N-but-3-yn-2-yl-2-hydroxypropanamide
CID 126994434
2-bromo-N-but-3-yn-2-yl-3-methylbutanamide
CID 114415729
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
CID 104921655
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
CID 106230696
N-but-3-yn-2-yl-2,2-difluoroacetamide
CID 103514717
N-but-3-yn-2-yl-2-(methylamino)propanamide
CID 114417110
(2R)-2-amino-N-but-3-yn-2-yl-2-phenylacetamide
CID 104921668
2-amino-3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 88930533
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
1-but-3-yn-2-yl-3-(3-methylbutan-2-yl)urea
CID 130891248

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide (CID 104921675) is (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide is C#CC(C)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide?
The InChIKey is LKZPRYDEDBRORO-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H16N2O/c1-5-7(4)11-9(12)8(10)6(2)3/h1,6-8H,10H2,2-4H3,(H,11,12)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide?
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide is sourced from PubChem (CID 104921675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).