(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide

C18H30N2O2 — CID 11645196

IUPAC(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESC[C@H](O)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O2/c1-11(21)10-20-4-2-3-16(20)18(22)19-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-17,21H,2-10H2,1H3,(H,19,22)/t11-,12?,13?,14?,15?,16+,17?/m0/s1
InChIKeyBZTNLIJWRCZJIL-MMLUDYIGSA-N
MW306.45 g/mol
LogP1.77
Rot. Bonds4

About (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide (PubChem CID 11645196) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide
PubChem CID11645196
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide
SMILESC[C@H](O)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H30N2O2/c1-11(21)10-20-4-2-3-16(20)18(22)19-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-17,21H,2-10H2,1H3,(H,19,22)/t11-,12?,13?,14?,15?,16+,17?/m0/s1
InChIKeyBZTNLIJWRCZJIL-MMLUDYIGSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide (CID 11645196) is (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide is C[C@H](O)CN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
The InChIKey is BZTNLIJWRCZJIL-MMLUDYIGSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-11(21)10-20-4-2-3-16(20)18(22)19-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-17,21H,2-10H2,1H3,(H,19,22)/t11-,12?,13?,14?,15?,16+,17?/m0/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-[(2S)-2-hydroxypropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 11645196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).