(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid

C12H19N3O4 — CID 122062796

IUPAC(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
SMILESCCCC[C@H](Nc1cncc(OCCO)n1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-2-3-4-9(12(17)18)14-10-7-13-8-11(15-10)19-6-5-16/h7-9,16H,2-6H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyOVGMAOYPFHHNDM-VIFPVBQESA-N
MW269.30 g/mol
LogP0.90
Rot. Bonds9

About (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid

(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid (PubChem CID 122062796) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
PubChem CID122062796
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid
SMILESCCCC[C@H](Nc1cncc(OCCO)n1)C(=O)O
InChIInChI=1S/C12H19N3O4/c1-2-3-4-9(12(17)18)14-10-7-13-8-11(15-10)19-6-5-16/h7-9,16H,2-6H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1
InChIKeyOVGMAOYPFHHNDM-VIFPVBQESA-N
XLogP0.90
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
CID 122060460
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
6-butoxy-N-ethylpyrazin-2-amine
CID 80865504
(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
5-methoxy-2-(pyrazin-2-ylamino)pentanoic acid
CID 81078260
2-[(3-chloropyrazin-2-yl)amino]hexanoic acid
CID 121204712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid (CID 122062796) is (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid is CCCC[C@H](Nc1cncc(OCCO)n1)C(=O)O.
What is the InChIKey of (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid?
The InChIKey is OVGMAOYPFHHNDM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-3-4-9(12(17)18)14-10-7-13-8-11(15-10)19-6-5-16/h7-9,16H,2-6H2,1H3,(H,14,15)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid?
(2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid has a molecular weight of 269.30 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(2-hydroxyethoxy)pyrazin-2-yl]amino]hexanoic acid is sourced from PubChem (CID 122062796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).