2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide

C13H26N2O2 — CID 66261743

IUPAC2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O2/c1-5-13(3,4)14-12(17)10(2)15-8-6-7-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyOJIFNIMKVPARCG-DTIOYNMSSA-N
MW242.36 g/mol
LogP1.14
Rot. Bonds5

About 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide

2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 66261743) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID66261743
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CCC[C@H]1CO
InChIInChI=1S/C13H26N2O2/c1-5-13(3,4)14-12(17)10(2)15-8-6-7-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10?,11-/m0/s1
InChIKeyOJIFNIMKVPARCG-DTIOYNMSSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
2-[2-(hydroxymethyl)piperidin-1-yl]-N-propylpropanamide
CID 62020613
2-[2-(hydroxymethyl)piperidin-1-yl]propanehydrazide
CID 63583148
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N,N-dimethylpropanamide
CID 62014138
N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
CID 114338889
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide (CID 66261743) is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CCC[C@H]1CO.
What is the InChIKey of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is OJIFNIMKVPARCG-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(3,4)14-12(17)10(2)15-8-6-7-11(15)9-16/h10-11,16H,5-9H2,1-4H3,(H,14,17)/t10?,11-/m0/s1.
What are the key properties of 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide?
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 66261743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).