(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid

C9H11ClN4O2 — CID 129161556

IUPAC(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClN4O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H,11,13)(H,15,16)/t6-/m1/s1
InChIKeyMVMKHVSKSBPGSF-ZCFIWIBFSA-N
MW242.67 g/mol
LogP1.29
Rot. Bonds2

About (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid

(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 129161556) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID129161556
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C9H11ClN4O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H,11,13)(H,15,16)/t6-/m1/s1
InChIKeyMVMKHVSKSBPGSF-ZCFIWIBFSA-N
XLogP1.29
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(6-Chloropyridazin-3-yl)amino]propyl]pyrrolidin-2-one
CID 5771147
N'-(6-Chloro-pyridazin-3-yl)-N,N-dimethyl-ethane-1,2-diamine
CID 3227147
[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161446
(1S,2R,3R,5R)-3-[(6-chloropyridazin-3-yl)amino]-2-fluoro-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155047080
(1S,3R,5R)-3-[(6-chloropyridazin-3-yl)amino]-6,6-difluoro-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 155047110
(2S,4R)-2-[[(6-chloropyridazin-3-yl)amino]methyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 155284662
6-chloro-N-[[(2S)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine
CID 155284770
6-chloro-N-[(4,4-difluoropyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 155284773
(2S,4S)-2-[[(6-chloropyridazin-3-yl)amino]methyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 155284817
5-[(6-Chloropyridazin-3-yl)amino]-3,3-difluoropiperidine-1-carboxylic acid
CID 155284865
6-chloro-N-[[(2R)-4,4-difluoropyrrolidin-2-yl]methyl]pyridazin-3-amine
CID 155284869
tert-butyl (2S,4R)-2-[[(6-chloropyridazin-3-yl)amino]methyl]-4-fluoropyrrolidine-1-carboxylate
CID 155304250

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (CID 129161556) is (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](Nc2ccc(Cl)nn2)C1.
What is the InChIKey of (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is MVMKHVSKSBPGSF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-7-1-2-8(13-12-7)11-6-3-4-14(5-6)9(15)16/h1-2,6H,3-5H2,(H,11,13)(H,15,16)/t6-/m1/s1.
What are the key properties of (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 242.67 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-chloropyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 129161556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).