(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide

C16H27N3O5 — CID 23520209

IUPAC(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C16H27N3O5/c1-2-3-6-11(13(20)14(21)17-24)15(22)19-10-4-7-12(19)16(23)18-8-5-9-18/h11-13,20,24H,2-10H2,1H3,(H,17,21)/t11-,12+,13+/m1/s1
InChIKeyNTJDZIGFEMIDFT-AGIUHOORSA-N
MW341.41 g/mol
LogP-0.12
Rot. Bonds7

About (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide

(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide (PubChem CID 23520209) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide.

Molecular Properties

Compound Name(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
PubChem CID23520209
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C16H27N3O5/c1-2-3-6-11(13(20)14(21)17-24)15(22)19-10-4-7-12(19)16(23)18-8-5-9-18/h11-13,20,24H,2-10H2,1H3,(H,17,21)/t11-,12+,13+/m1/s1
InChIKeyNTJDZIGFEMIDFT-AGIUHOORSA-N
XLogP-0.12
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.12
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,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The IUPAC name of (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide (CID 23520209) is (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide.
What is the SMILES notation for (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The canonical SMILES for (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC1)[C@H](O)C(=O)NO.
What is the InChIKey of (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
The InChIKey is NTJDZIGFEMIDFT-AGIUHOORSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-2-3-6-11(13(20)14(21)17-24)15(22)19-10-4-7-12(19)16(23)18-8-5-9-18/h11-13,20,24H,2-10H2,1H3,(H,17,21)/t11-,12+,13+/m1/s1.
What are the key properties of (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide?
(2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide has a molecular weight of 341.41 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(2S)-2-(azetidine-1-carbonyl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide is sourced from PubChem (CID 23520209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).