2-[(3-chloropyrazin-2-yl)amino]hexanoic acid

C10H14ClN3O2 — CID 121204712

IUPAC2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccnc1Cl)C(=O)O
InChIInChI=1S/C10H14ClN3O2/c1-2-3-4-7(10(15)16)14-9-8(11)12-5-6-13-9/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyPGXZDNFDZCVQAZ-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.19
Rot. Bonds6

About 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid

2-[(3-chloropyrazin-2-yl)amino]hexanoic acid (PubChem CID 121204712) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
PubChem CID121204712
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccnc1Cl)C(=O)O
InChIInChI=1S/C10H14ClN3O2/c1-2-3-4-7(10(15)16)14-9-8(11)12-5-6-13-9/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16)
InChIKeyPGXZDNFDZCVQAZ-UHFFFAOYSA-N
XLogP2.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(3-chloropyrazin-2-yl)amino]hexanoate
CID 129495328
methyl 2-[(3-chloropyrazin-2-yl)amino]hexanoate
CID 121204713
(2R)-2-[(3-chloropyrazin-2-yl)amino]-4-methylsulfanylbutanoic acid
CID 129497577
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
2-[(7-hydroxyisoquinolin-1-yl)amino]hexanoic acid
CID 106535962
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
(2S)-3-(4-aminophenyl)-2-[(3-chloropyrazin-2-yl)amino]propanoic acid
CID 91566398
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-[(4-methylphthalazin-1-yl)amino]hexanoic acid
CID 43517093

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid (CID 121204712) is 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid is CCCCC(Nc1nccnc1Cl)C(=O)O.
What is the InChIKey of 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid?
The InChIKey is PGXZDNFDZCVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-3-4-7(10(15)16)14-9-8(11)12-5-6-13-9/h5-7H,2-4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid?
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid has a molecular weight of 243.69 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloropyrazin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 121204712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).