(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

C17H22N2O3 — CID 94447730

IUPAC(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C17H22N2O3/c20-15-9-2-1-7-13(15)17(22)19-10-4-8-14(19)16(21)18-11-12-5-3-6-12/h1-2,7,9,12,14,20H,3-6,8,10-11H2,(H,18,21)/t14-/m0/s1
InChIKeyCUXVZBKACXOPQE-AWEZNQCLSA-N
MW302.37 g/mol
LogP1.91
Rot. Bonds4

About (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide

(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (PubChem CID 94447730) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
PubChem CID94447730
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C17H22N2O3/c20-15-9-2-1-7-13(15)17(22)19-10-4-8-14(19)16(21)18-11-12-5-3-6-12/h1-2,7,9,12,14,20H,3-6,8,10-11H2,(H,18,21)/t14-/m0/s1
InChIKeyCUXVZBKACXOPQE-AWEZNQCLSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide (CID 94447730) is (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is O=C(NCC1CCC1)[C@@H]1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is CUXVZBKACXOPQE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-15-9-2-1-7-13(15)17(22)19-10-4-8-14(19)16(21)18-11-12-5-3-6-12/h1-2,7,9,12,14,20H,3-6,8,10-11H2,(H,18,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide?
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94447730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).