(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide

C12H22N2O3 — CID 111427958

IUPAC(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@H]1CO)C1CCCO1
InChIInChI=1S/C12H22N2O3/c1-9(11-5-3-7-17-11)13-12(16)14-6-2-4-10(14)8-15/h9-11,15H,2-8H2,1H3,(H,13,16)/t9?,10-,11?/m0/s1
InChIKeyIWZCQZFYVZGONQ-YVNMAJEFSA-N
MW242.32 g/mol
LogP0.72
Rot. Bonds3

About (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 111427958) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID111427958
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCC[C@H]1CO)C1CCCO1
InChIInChI=1S/C12H22N2O3/c1-9(11-5-3-7-17-11)13-12(16)14-6-2-4-10(14)8-15/h9-11,15H,2-8H2,1H3,(H,13,16)/t9?,10-,11?/m0/s1
InChIKeyIWZCQZFYVZGONQ-YVNMAJEFSA-N
XLogP0.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100836454
(2S,3R)-3-hydroxy-2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104965962
(2S)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 100836452
(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124839563
(3R)-1-[1-(oxolan-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119882
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 79030400
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
(2S)-2-(2,4-dimethoxyphenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrrolidine-1-carboxamide
CID 124830290
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 124777449
tert-butyl (2R)-2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 35257976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide (CID 111427958) is (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCC[C@H]1CO)C1CCCO1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is IWZCQZFYVZGONQ-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(11-5-3-7-17-11)13-12(16)14-6-2-4-10(14)8-15/h9-11,15H,2-8H2,1H3,(H,13,16)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111427958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).