methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate

C11H16ClN3O2 — CID 129495328

IUPACmethyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate
SMILESCCCC[C@@H](Nc1nccnc1Cl)C(=O)OC
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyBBZUIMYGQBDZSE-MRVPVSSYSA-N
MW257.72 g/mol
LogP2.27
Rot. Bonds6

About methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate

methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate (PubChem CID 129495328) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate
PubChem CID129495328
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Namemethyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate
SMILESCCCC[C@@H](Nc1nccnc1Cl)C(=O)OC
InChIInChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyBBZUIMYGQBDZSE-MRVPVSSYSA-N
XLogP2.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate
CID 121204713
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
CID 121204712
methyl 2-(4-chloro-2-fluoroanilino)hexanoate
CID 103247397
(2R)-2-[(3-chloropyrazin-2-yl)amino]-4-methylsulfanylbutanoic acid
CID 129497577
methyl 2-(4-chloroanilino)octanoate
CID 63525918
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
ethyl (2R)-2-[(6-chloropyrimidin-4-yl)amino]hexanoate
CID 58629287
methyl 2-[2-chloro-4-(trifluoromethyl)anilino]hexanoate
CID 103250822
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
methyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]hexanoate
CID 113341980
methyl 2-[[(1S)-1-pyridin-4-ylethyl]amino]hexanoate
CID 103258897
methyl 2-(2,5-difluoroanilino)hexanoate
CID 103232812

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The IUPAC name of methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate (CID 129495328) is methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate.
What is the SMILES notation for methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The canonical SMILES for methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate is CCCC[C@@H](Nc1nccnc1Cl)C(=O)OC.
What is the InChIKey of methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate?
The InChIKey is BBZUIMYGQBDZSE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-3-4-5-8(11(16)17-2)15-10-9(12)13-6-7-14-10/h6-8H,3-5H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate?
methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate has a molecular weight of 257.72 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate is sourced from PubChem (CID 129495328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).