(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid

C10H14N4O2 — CID 139461300

IUPAC(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCc1cnnc(N[C@@H]2CCN(C(=O)O)C2)c1
InChIInChI=1S/C10H14N4O2/c1-7-4-9(13-11-5-7)12-8-2-3-14(6-8)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyZKLQVMQOOVMLOD-MRVPVSSYSA-N
MW222.25 g/mol
LogP0.95
Rot. Bonds2

About (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid

(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 139461300) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
PubChem CID139461300
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
SMILESCc1cnnc(N[C@@H]2CCN(C(=O)O)C2)c1
InChIInChI=1S/C10H14N4O2/c1-7-4-9(13-11-5-7)12-8-2-3-14(6-8)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,15,16)/t8-/m1/s1
InChIKeyZKLQVMQOOVMLOD-MRVPVSSYSA-N
XLogP0.95
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-methylpyridazin-3-amine
CID 106549432
3-[(6-aminopyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid
CID 175425604
(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carboxylic acid
CID 175114110
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpyridazin-3-amine
CID 114009022
(3S)-3-(4-aminoanilino)pyrrolidine-1-carboxylic acid
CID 66738310
tert-butyl 3-[(5-methylpyrazin-2-yl)amino]pyrrolidine-1-carboxylate
CID 175109329
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
(3S)-3-(4-bromoanilino)pyrrolidine-1-carboxylic acid
CID 170189829
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
3-[(8-bromopyrido[3,4-b]pyrazin-5-yl)amino]pyrrolidine-1-carboxylic acid
CID 170311521
1-N-(5-methylpyridazin-3-yl)cyclopropane-1,2-diamine
CID 106550107
3-[[3-(tert-butylcarbamoyl)-5-chloro-2-pyridinyl]amino]pyrrolidine-1-carboxylic acid
CID 154499612

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid (CID 139461300) is (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is Cc1cnnc(N[C@@H]2CCN(C(=O)O)C2)c1.
What is the InChIKey of (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is ZKLQVMQOOVMLOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-4-9(13-11-5-7)12-8-2-3-14(6-8)10(15)16/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,15,16)/t8-/m1/s1.
What are the key properties of (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid?
(3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 222.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methylpyridazin-3-yl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 139461300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).