1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide

C13H17N3O3 — CID 54874193

IUPAC1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)CNc1ccccc1
InChIInChI=1S/C13H17N3O3/c14-13(19)11-6-10(17)8-16(11)12(18)7-15-9-4-2-1-3-5-9/h1-5,10-11,15,17H,6-8H2,(H2,14,19)
InChIKeySRSUOLSXPITJTM-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.45
Rot. Bonds4

About 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide

1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 54874193) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID54874193
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)CNc1ccccc1
InChIInChI=1S/C13H17N3O3/c14-13(19)11-6-10(17)8-16(11)12(18)7-15-9-4-2-1-3-5-9/h1-5,10-11,15,17H,6-8H2,(H2,14,19)
InChIKeySRSUOLSXPITJTM-UHFFFAOYSA-N
XLogP-0.45
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 79260481
(2S)-1-(2-anilinoacetyl)azetidine-2-carboxylic acid
CID 22958472
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 63108174
(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
CID 141098596
1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60959099

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide (CID 54874193) is 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)CNc1ccccc1.
What is the InChIKey of 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SRSUOLSXPITJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(19)11-6-10(17)8-16(11)12(18)7-15-9-4-2-1-3-5-9/h1-5,10-11,15,17H,6-8H2,(H2,14,19).
What are the key properties of 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 54874193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).