(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C12H18N4O4 — CID 78999623

IUPAC(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)n1cc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-7(2)16-5-8(4-13-16)14-12(20)15-6-9(17)3-10(15)11(18)19/h4-5,7,9-10,17H,3,6H2,1-2H3,(H,14,20)(H,18,19)/t9-,10-/m1/s1
InChIKeyTVPPDQMPDLGAHW-NXEZZACHSA-N
MW282.30 g/mol
LogP0.52
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78999623) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78999623
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)n1cc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-7(2)16-5-8(4-13-16)14-12(20)15-6-9(17)3-10(15)11(18)19/h4-5,7,9-10,17H,3,6H2,1-2H3,(H,14,20)(H,18,19)/t9-,10-/m1/s1
InChIKeyTVPPDQMPDLGAHW-NXEZZACHSA-N
XLogP0.52
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S,4S)-4-hydroxy-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714832
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
CID 86768685
(2R,4R)-4-hydroxy-1-(pyrimidin-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999486
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(2S,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843514
(2R,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000304
(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983007
2-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 62904242

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78999623) is (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)n1cc(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)cn1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TVPPDQMPDLGAHW-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7(2)16-5-8(4-13-16)14-12(20)15-6-9(17)3-10(15)11(18)19/h4-5,7,9-10,17H,3,6H2,1-2H3,(H,14,20)(H,18,19)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).