(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid

C10H13N3O4 — CID 28790215

IUPAC(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccn1
InChIInChI=1S/C10H13N3O4/c14-7-4-8(10(16)17)13(5-7)9(15)6-12-3-1-2-11-12/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m0/s1
InChIKeyDRXBBVQJJUYYOD-YUMQZZPRSA-N
MW239.23 g/mol
LogP-1.07
Rot. Bonds3

About (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 28790215) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID28790215
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccn1
InChIInChI=1S/C10H13N3O4/c14-7-4-8(10(16)17)13(5-7)9(15)6-12-3-1-2-11-12/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m0/s1
InChIKeyDRXBBVQJJUYYOD-YUMQZZPRSA-N
XLogP-1.07
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61153555
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
2-(2-pyrazol-1-ylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43211238
(2S)-4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 61153712
(2S,4S)-1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459973
1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 115459499
(2S,4S)-1-(2-chloroacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 46841621
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463
(2S,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713518
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid (CID 28790215) is (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(=O)Cn1cccn1.
What is the InChIKey of (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DRXBBVQJJUYYOD-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-7-4-8(10(16)17)13(5-7)9(15)6-12-3-1-2-11-12/h1-3,7-8,14H,4-6H2,(H,16,17)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-(2-pyrazol-1-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28790215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).