(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide

C18H31N3O5 — CID 23520230

IUPAC(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCCCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C18H31N3O5/c1-2-3-8-13(15(22)16(23)19-26)17(24)21-12-7-9-14(21)18(25)20-10-5-4-6-11-20/h13-15,22,26H,2-12H2,1H3,(H,19,23)/t13-,14+,15+/m1/s1
InChIKeySWGNLZZWRNXEQF-ILXRZTDVSA-N
MW369.46 g/mol
LogP0.66
Rot. Bonds7

About (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide

(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide (PubChem CID 23520230) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide.

Molecular Properties

Compound Name(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide
PubChem CID23520230
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Name(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCCCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C18H31N3O5/c1-2-3-8-13(15(22)16(23)19-26)17(24)21-12-7-9-14(21)18(25)20-10-5-4-6-11-20/h13-15,22,26H,2-12H2,1H3,(H,19,23)/t13-,14+,15+/m1/s1
InChIKeySWGNLZZWRNXEQF-ILXRZTDVSA-N
XLogP0.66
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.66
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)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The IUPAC name of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide (CID 23520230) is (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide.
What is the SMILES notation for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The canonical SMILES for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCCCC1)[C@H](O)C(=O)NO.
What is the InChIKey of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The InChIKey is SWGNLZZWRNXEQF-ILXRZTDVSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-2-3-8-13(15(22)16(23)19-26)17(24)21-12-7-9-14(21)18(25)20-10-5-4-6-11-20/h13-15,22,26H,2-12H2,1H3,(H,19,23)/t13-,14+,15+/m1/s1.
What are the key properties of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide has a molecular weight of 369.46 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidine-1-carbonyl]heptanamide is sourced from PubChem (CID 23520230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).