(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide

C11H20N2O — CID 106230696

IUPAC(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
SMILESC#CC(CCC)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-9(6-2)13-11(14)10(12)8(3)4/h2,8-10H,5,7,12H2,1,3-4H3,(H,13,14)/t9?,10-/m1/s1
InChIKeyOKCPXWSXYVXUKW-QVDQXJPCSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds5

About (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide

(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide (PubChem CID 106230696) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
PubChem CID106230696
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide
SMILESC#CC(CCC)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H20N2O/c1-5-7-9(6-2)13-11(14)10(12)8(3)4/h2,8-10H,5,7,12H2,1,3-4H3,(H,13,14)/t9?,10-/m1/s1
InChIKeyOKCPXWSXYVXUKW-QVDQXJPCSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
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

N-hex-1-yn-3-yl-2-sulfanylpropanamide
CID 106229841
(2S)-2-amino-N-hex-1-yn-3-ylhexanamide
CID 106230639
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
N-hex-1-yn-3-yl-2-methoxypropanamide
CID 103528920
(2R)-2-amino-N-but-3-yn-2-yl-3-methylbutanamide
CID 104921675
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-(hex-1-yn-3-ylamino)-2-oxoacetic acid
CID 106232888
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687
3-(2-methylpentanoylamino)pent-4-ynoic acid
CID 138583566
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide (CID 106230696) is (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide is C#CC(CCC)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide?
The InChIKey is OKCPXWSXYVXUKW-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-7-9(6-2)13-11(14)10(12)8(3)4/h2,8-10H,5,7,12H2,1,3-4H3,(H,13,14)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide?
(2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide has a molecular weight of 196.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-hex-1-yn-3-yl-3-methylbutanamide is sourced from PubChem (CID 106230696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).