(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide

C22H38N2O5 — CID 71485510

IUPAC(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCCCOCC12CC3CC(CC(C3)C1)C2)[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C22H38N2O5/c25-12-17-19(26)20(27)18(24-17)21(28)23-4-2-1-3-5-29-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h14-20,24-27H,1-13H2,(H,23,28)/t14?,15?,16?,17-,18-,19+,20-,22?/m1/s1
InChIKeyFWDXUUZGNWBLMB-QSBKZNQASA-N
MW410.56 g/mol
LogP0.56
Rot. Bonds10

About (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide

(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide (PubChem CID 71485510) has the molecular formula C22H38N2O5 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
PubChem CID71485510
Molecular FormulaC22H38N2O5
Molecular Weight410.56 g/mol
Exact Mass410.28
IUPAC Name(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCCCOCC12CC3CC(CC(C3)C1)C2)[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C22H38N2O5/c25-12-17-19(26)20(27)18(24-17)21(28)23-4-2-1-3-5-29-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h14-20,24-27H,1-13H2,(H,23,28)/t14?,15?,16?,17-,18-,19+,20-,22?/m1/s1
InChIKeyFWDXUUZGNWBLMB-QSBKZNQASA-N
XLogP0.56
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 50.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide (CID 71485510) is (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide is O=C(NCCCCCOCC12CC3CC(CC(C3)C1)C2)[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
The InChIKey is FWDXUUZGNWBLMB-QSBKZNQASA-N. The full InChI is InChI=1S/C22H38N2O5/c25-12-17-19(26)20(27)18(24-17)21(28)23-4-2-1-3-5-29-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h14-20,24-27H,1-13H2,(H,23,28)/t14?,15?,16?,17-,18-,19+,20-,22?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide?
(2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 0.56, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-N-[5-(1-adamantylmethoxy)pentyl]-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 71485510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).