(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide

C15H32N4O2 — CID 87506133

IUPAC(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide
SMILESCCCC[C@@H](N)CN[C@@H](C)C(=O)N[C@@H](CC)C(=O)NCC
InChIInChI=1S/C15H32N4O2/c1-5-8-9-12(16)10-18-11(4)14(20)19-13(6-2)15(21)17-7-3/h11-13,18H,5-10,16H2,1-4H3,(H,17,21)(H,19,20)/t11-,12+,13-/m0/s1
InChIKeyZOGIDMFVNZFAAN-XQQFMLRXSA-N
MW300.45 g/mol
LogP0.51
Rot. Bonds11

About (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide

(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide (PubChem CID 87506133) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide
PubChem CID87506133
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide
SMILESCCCC[C@@H](N)CN[C@@H](C)C(=O)N[C@@H](CC)C(=O)NCC
InChIInChI=1S/C15H32N4O2/c1-5-8-9-12(16)10-18-11(4)14(20)19-13(6-2)15(21)17-7-3/h11-13,18H,5-10,16H2,1-4H3,(H,17,21)(H,19,20)/t11-,12+,13-/m0/s1
InChIKeyZOGIDMFVNZFAAN-XQQFMLRXSA-N
XLogP0.51
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide with MolForge

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethylbutanamide
CID 59297755
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
2-aminohexylurea
CID 171485886
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
N-[5-amino-1-(ethylamino)-1-oxopentan-2-yl]dodecanamide
CID 121336815
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
CID 107147000
2-(2-acetamidopropanoylamino)hexanoic acid
CID 43469646
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropyl]amino]propanoyl]amino]-N-ethyl-3-methylbutanamide
CID 59297631
2-(2,3-dimethylbutylamino)-N-ethylpropanamide
CID 64571125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide?
The IUPAC name of (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide (CID 87506133) is (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide is CCCC[C@@H](N)CN[C@@H](C)C(=O)N[C@@H](CC)C(=O)NCC.
What is the InChIKey of (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide?
The InChIKey is ZOGIDMFVNZFAAN-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-5-8-9-12(16)10-18-11(4)14(20)19-13(6-2)15(21)17-7-3/h11-13,18H,5-10,16H2,1-4H3,(H,17,21)(H,19,20)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide?
(2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide has a molecular weight of 300.45 g/mol, XLogP of 0.51, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[[(2R)-2-aminohexyl]amino]propanoyl]amino]-N-ethylbutanamide is sourced from PubChem (CID 87506133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).