2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid

C12H19N3O2 — CID 42576511

IUPAC2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid
SMILESCc1ccn([C@H](C)[C@H]2CCCN2CC(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-7-15(13-9)10(2)11-4-3-6-14(11)8-12(16)17/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyHRUMMVJANJKEAO-GHMZBOCLSA-N
MW237.30 g/mol
LogP1.30
Rot. Bonds4

About 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid

2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid (PubChem CID 42576511) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid
PubChem CID42576511
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid
SMILESCc1ccn([C@H](C)[C@H]2CCCN2CC(=O)O)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-7-15(13-9)10(2)11-4-3-6-14(11)8-12(16)17/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyHRUMMVJANJKEAO-GHMZBOCLSA-N
XLogP1.30
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid (CID 42576511) is 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid is Cc1ccn([C@H](C)[C@H]2CCCN2CC(=O)O)n1.
What is the InChIKey of 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is HRUMMVJANJKEAO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-7-15(13-9)10(2)11-4-3-6-14(11)8-12(16)17/h5,7,10-11H,3-4,6,8H2,1-2H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid?
2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 42576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).