(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide

C23H32N4O4 — CID 45487398

IUPAC(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/m0/s1
InChIKeyGMXIFCSQVFGFBC-ZRTMLZEBSA-N
MW428.53 g/mol
LogP1.11
Rot. Bonds5

About (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide

(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide (PubChem CID 45487398) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
PubChem CID45487398
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide
SMILESO=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/m0/s1
InChIKeyGMXIFCSQVFGFBC-ZRTMLZEBSA-N
XLogP1.11
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide (CID 45487398) is (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide is O=C(NO)[C@H]1CC(CC(=O)N2CCCC2)CN[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
The InChIKey is GMXIFCSQVFGFBC-ZRTMLZEBSA-N. The full InChI is InChI=1S/C23H32N4O4/c28-20(26-9-4-5-10-26)13-16-12-19(22(29)25-31)21(24-14-16)23(30)27-11-8-18(15-27)17-6-2-1-3-7-17/h1-3,6-7,16,18-19,21,24,31H,4-5,8-15H2,(H,25,29)/t16?,18-,19-,21-/m0/s1.
What are the key properties of (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide?
(2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-hydroxy-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 45487398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).