(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid

C12H17N3O4 — CID 122063002

IUPAC(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1ccc(C(=O)OC)nn1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-4-5-8(11(16)17)13-10-7-6-9(14-15-10)12(18)19-2/h6-8H,3-5H2,1-2H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyYPZJJRHPEDKETE-QMMMGPOBSA-N
MW267.29 g/mol
LogP1.32
Rot. Bonds7

About (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid

(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid (PubChem CID 122063002) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
PubChem CID122063002
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1ccc(C(=O)OC)nn1)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-3-4-5-8(11(16)17)13-10-7-6-9(14-15-10)12(18)19-2/h6-8H,3-5H2,1-2H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeyYPZJJRHPEDKETE-QMMMGPOBSA-N
XLogP1.32
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
methyl 6-(1-aminopentan-2-ylamino)pyridazine-3-carboxylate
CID 65192484
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
CID 122060460
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid (CID 122063002) is (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid is CCCC[C@H](Nc1ccc(C(=O)OC)nn1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid?
The InChIKey is YPZJJRHPEDKETE-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-4-5-8(11(16)17)13-10-7-6-9(14-15-10)12(18)19-2/h6-8H,3-5H2,1-2H3,(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid?
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid has a molecular weight of 267.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 122063002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).