(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

C18H23N5O2 — CID 56706480

IUPAC(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H23N5O2/c1-11(2)22-17(24)15-9-12(19)10-23(15)18(25)14-6-4-3-5-13(14)16-20-7-8-21-16/h3-8,11-12,15H,9-10,19H2,1-2H3,(H,20,21)(H,22,24)/t12-,15-/m0/s1
InChIKeyLUKDSBVTIUOYFQ-WFASDCNBSA-N
MW341.42 g/mol
LogP1.14
Rot. Bonds4

About (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56706480) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56706480
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1-c1ncc[nH]1
InChIInChI=1S/C18H23N5O2/c1-11(2)22-17(24)15-9-12(19)10-23(15)18(25)14-6-4-3-5-13(14)16-20-7-8-21-16/h3-8,11-12,15H,9-10,19H2,1-2H3,(H,20,21)(H,22,24)/t12-,15-/m0/s1
InChIKeyLUKDSBVTIUOYFQ-WFASDCNBSA-N
XLogP1.14
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56706480) is (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccccc1-c1ncc[nH]1.
What is the InChIKey of (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LUKDSBVTIUOYFQ-WFASDCNBSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11(2)22-17(24)15-9-12(19)10-23(15)18(25)14-6-4-3-5-13(14)16-20-7-8-21-16/h3-8,11-12,15H,9-10,19H2,1-2H3,(H,20,21)(H,22,24)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[2-(1H-imidazol-2-yl)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56706480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).