(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide

C13H27N3O2 — CID 10563118

IUPAC(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
SMILESCCCC[C@H](NC(=O)[C@@H](N)CCCC)C(=O)NC
InChIInChI=1S/C13H27N3O2/c1-4-6-8-10(14)12(17)16-11(9-7-5-2)13(18)15-3/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyHDZRQFPHMAOEHQ-QWRGUYRKSA-N
MW257.38 g/mol
LogP0.92
Rot. Bonds9

About (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide

(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide (PubChem CID 10563118) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
PubChem CID10563118
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide
SMILESCCCC[C@H](NC(=O)[C@@H](N)CCCC)C(=O)NC
InChIInChI=1S/C13H27N3O2/c1-4-6-8-10(14)12(17)16-11(9-7-5-2)13(18)15-3/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1
InChIKeyHDZRQFPHMAOEHQ-QWRGUYRKSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide (CID 10563118) is (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide is CCCC[C@H](NC(=O)[C@@H](N)CCCC)C(=O)NC.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide?
The InChIKey is HDZRQFPHMAOEHQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-6-8-10(14)12(17)16-11(9-7-5-2)13(18)15-3/h10-11H,4-9,14H2,1-3H3,(H,15,18)(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide?
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide has a molecular weight of 257.38 g/mol, XLogP of 0.92, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxohexan-2-yl]hexanamide is sourced from PubChem (CID 10563118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).