trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide

C22H31N3O3 — CID 11372567

IUPACtrans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(N2CCCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H31N3O3/c26-21(23-28)20-14-18(24-11-4-5-12-24)8-9-19(20)22(27)25-13-10-17(15-25)16-6-2-1-3-7-16/h1-3,6-7,17-20,28H,4-5,8-15H2,(H,23,26)/t17-,18?,19-,20-/m0/s1
InChIKeyBLTJFRLHWUWTHK-GFDAQUBOSA-N
MW385.51 g/mol
LogP2.39
Rot. Bonds4

About trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide

trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 11372567) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID11372567
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Nametrans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(N2CCCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1
InChIInChI=1S/C22H31N3O3/c26-21(23-28)20-14-18(24-11-4-5-12-24)8-9-19(20)22(27)25-13-10-17(15-25)16-6-2-1-3-7-16/h1-3,6-7,17-20,28H,4-5,8-15H2,(H,23,26)/t17-,18?,19-,20-/m0/s1
InChIKeyBLTJFRLHWUWTHK-GFDAQUBOSA-N
XLogP2.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 11372567) is trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide is O=C(NO)[C@H]1CC(N2CCCC2)CC[C@@H]1C(=O)N1CC[C@H](c2ccccc2)C1.
What is the InChIKey of trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is BLTJFRLHWUWTHK-GFDAQUBOSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21(23-28)20-14-18(24-11-4-5-12-24)8-9-19(20)22(27)25-13-10-17(15-25)16-6-2-1-3-7-16/h1-3,6-7,17-20,28H,4-5,8-15H2,(H,23,26)/t17-,18?,19-,20-/m0/s1.
What are the key properties of trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide?
trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-hydroxy-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]-5-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 11372567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).