(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide

C10H18N2O — CID 104921655

IUPAC(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
SMILESC#CC(C)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-8(4)12-10(13)9(11)6-7(2)3/h1,7-9H,6,11H2,2-4H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyDMYABQVJFJHWQD-YGPZHTELSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds4

About (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide

(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide (PubChem CID 104921655) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
PubChem CID104921655
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide
SMILESC#CC(C)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C10H18N2O/c1-5-8(4)12-10(13)9(11)6-7(2)3/h1,7-9H,6,11H2,2-4H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyDMYABQVJFJHWQD-YGPZHTELSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
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
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
(2S)-2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61470844
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
2-amino-4-methyl-N-(2-methylpentan-3-yl)pentanamide
CID 61472316
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
(2S)-2-amino-4-methyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 103951305
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide (CID 104921655) is (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide is C#CC(C)NC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide?
The InChIKey is DMYABQVJFJHWQD-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-8(4)12-10(13)9(11)6-7(2)3/h1,7-9H,6,11H2,2-4H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide?
(2R)-2-amino-N-but-3-yn-2-yl-4-methylpentanamide has a molecular weight of 182.27 g/mol, XLogP of 0.50, 4 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-4-methylpentanamide is sourced from PubChem (CID 104921655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).