(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide

C12H14N2O3 — CID 124508175

IUPAC(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(16)10-6-9(15)7-14(10)12(17)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,13,16)/t9-,10-/m1/s1
InChIKeyQYKCILOZAVMTLT-NXEZZACHSA-N
MW234.25 g/mol
LogP-0.25
Rot. Bonds2

About (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124508175) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124508175
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1
InChIInChI=1S/C12H14N2O3/c13-11(16)10-6-9(15)7-14(10)12(17)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,13,16)/t9-,10-/m1/s1
InChIKeyQYKCILOZAVMTLT-NXEZZACHSA-N
XLogP-0.25
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60959099
[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone
CID 118694898
1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 62680969
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 79693227
1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
CID 19011705
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid
CID 79000986
(2S,4R)-1-[4-(aminomethyl)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 55261895
1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 63108174

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide (CID 124508175) is (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1.
What is the InChIKey of (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QYKCILOZAVMTLT-NXEZZACHSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-11(16)10-6-9(15)7-14(10)12(17)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,13,16)/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124508175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).