(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

C9H14N4O2 — CID 90233480

IUPAC(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCn1nc([C@@H]2CCCN2C(=O)O)cc1N
InChIInChI=1S/C9H14N4O2/c1-12-8(10)5-6(11-12)7-3-2-4-13(7)9(14)15/h5,7H,2-4,10H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyWLCUZSSOFLVUJO-ZETCQYMHSA-N
MW210.24 g/mol
LogP0.82
Rot. Bonds1

About (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 90233480) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID90233480
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCn1nc([C@@H]2CCCN2C(=O)O)cc1N
InChIInChI=1S/C9H14N4O2/c1-12-8(10)5-6(11-12)7-3-2-4-13(7)9(14)15/h5,7H,2-4,10H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyWLCUZSSOFLVUJO-ZETCQYMHSA-N
XLogP0.82
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57636948
CID 57636948
CID 57636962
CID 57636962
CID 57636974
CID 57636974
CID 57637021
CID 57637021
CID 57637028
CID 57637028
CID 57637062
CID 57637062
CID 57637104
CID 57637104
CID 66777223
CID 66777223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (CID 90233480) is (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is Cn1nc([C@@H]2CCCN2C(=O)O)cc1N.
What is the InChIKey of (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is WLCUZSSOFLVUJO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-12-8(10)5-6(11-12)7-3-2-4-13(7)9(14)15/h5,7H,2-4,10H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
(2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 210.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 90233480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).