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

C13H26N2O3 — CID 97240751

IUPAC(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C13H26N2O3/c1-10(16)8-11-6-5-7-15(11)12(17)14-9-13(2,3)18-4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyDQRORZHOWSIRND-MNOVXSKESA-N
MW258.36 g/mol
LogP1.36
Rot. Bonds5

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

(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 97240751) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID97240751
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCOC(C)(C)CNC(=O)N1CCC[C@H]1C[C@@H](C)O
InChIInChI=1S/C13H26N2O3/c1-10(16)8-11-6-5-7-15(11)12(17)14-9-13(2,3)18-4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyDQRORZHOWSIRND-MNOVXSKESA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 111507392
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 79546453
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049
1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]nonan-1-one
CID 79547123
2-(cyclopropylamino)-1-[2-(2-hydroxypropyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 110012382
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-propan-2-yloxyethanone
CID 112603248

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide (CID 97240751) is (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide is COC(C)(C)CNC(=O)N1CCC[C@H]1C[C@@H](C)O.
What is the InChIKey of (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is DQRORZHOWSIRND-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(16)8-11-6-5-7-15(11)12(17)14-9-13(2,3)18-4/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide?
(2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-hydroxypropyl]-N-(2-methoxy-2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97240751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).