1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide

C14H19N3O3 — CID 63108174

IUPAC1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCNc1ccccc1C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C14H19N3O3/c1-2-16-11-6-4-3-5-10(11)14(20)17-8-9(18)7-12(17)13(15)19/h3-6,9,12,16,18H,2,7-8H2,1H3,(H2,15,19)
InChIKeyGCIHBPIJMNAVFF-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.18
Rot. Bonds4

About 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide

1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 63108174) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID63108174
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCNc1ccccc1C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C14H19N3O3/c1-2-16-11-6-4-3-5-10(11)14(20)17-8-9(18)7-12(17)13(15)19/h3-6,9,12,16,18H,2,7-8H2,1H3,(H2,15,19)
InChIKeyGCIHBPIJMNAVFF-UHFFFAOYSA-N
XLogP0.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60959099
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
4-[2-(ethylamino)benzoyl]-N-methylmorpholine-3-carboxamide
CID 83104137
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
(2S,4S)-4-hydroxy-1-[2-[2-(methylamino)ethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 104547992
1-(5-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60954721
1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60954722
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 63108174) is 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide is CCNc1ccccc1C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GCIHBPIJMNAVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-16-11-6-4-3-5-10(11)14(20)17-8-9(18)7-12(17)13(15)19/h3-6,9,12,16,18H,2,7-8H2,1H3,(H2,15,19).
What are the key properties of 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide?
1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 63108174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).