(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid

C14H21N3O4 — CID 165163387

IUPAC(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
SMILESCn1nccc1C1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-8-9(7-11(17)12(18)19)10-5-6-15-16(10)4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19)/t9?,11-/m1/s1
InChIKeyLUGFMVMPQBANJN-HCCKASOXSA-N
MW295.34 g/mol
LogP1.60
Rot. Bonds2

About (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid

(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 165163387) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID165163387
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid
SMILESCn1nccc1C1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-8-9(7-11(17)12(18)19)10-5-6-15-16(10)4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19)/t9?,11-/m1/s1
InChIKeyLUGFMVMPQBANJN-HCCKASOXSA-N
XLogP1.60
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid (CID 165163387) is (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid is Cn1nccc1C1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is LUGFMVMPQBANJN-HCCKASOXSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-8-9(7-11(17)12(18)19)10-5-6-15-16(10)4/h5-6,9,11H,7-8H2,1-4H3,(H,18,19)/t9?,11-/m1/s1.
What are the key properties of (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpyrazol-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 165163387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).