(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide

C12H24N2O2 — CID 164555811

IUPAC(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC[C@H](CCO)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-11(8-14)5-7-15/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyQJZAKIQOPLMDEO-GHMZBOCLSA-N
MW228.34 g/mol
LogP1.44
Rot. Bonds4

About (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide

(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 164555811) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
PubChem CID164555811
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CC[C@H](CCO)C1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-11(8-14)5-7-15/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyQJZAKIQOPLMDEO-GHMZBOCLSA-N
XLogP1.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(Hydroxymethyl)pyrrolidin-3-YL]-3,3-dimethylurea
CID 71836734
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 75378025
(2R)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 66261852
(2S,4S)-4-fluoro-2-(hydroxymethyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 132289380
N-tert-butyl-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
CID 132346035
N-butyl-2,4-bis(hydroxymethyl)pyrrolidine-1-carboxamide
CID 138018354
(s)-N-t-butylaminocarbonyl-2-pyrrolidinylmethanol
CID 79028549
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-1-carboxamide
CID 130014286
2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 102778493
1-(5-Hydroxypentan-2-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 112133721
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115667784
3-(hydroxymethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 43589574

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide (CID 164555811) is (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CC[C@H](CCO)C1.
What is the InChIKey of (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is QJZAKIQOPLMDEO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10(3)13-12(16)14-6-4-11(8-14)5-7-15/h9-11,15H,4-8H2,1-3H3,(H,13,16)/t10-,11-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide?
(3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyl)-N-[(2R)-3-methylbutan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164555811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).