2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide

C12H23N3O3 — CID 62469409

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCCC1CCCO
InChIInChI=1S/C12H23N3O3/c1-9(11(17)14-12(18)13-2)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyXDLGGYGHWSMUIO-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.07
Rot. Bonds5

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 62469409) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID62469409
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCCC1CCCO
InChIInChI=1S/C12H23N3O3/c1-9(11(17)14-12(18)13-2)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18)
InChIKeyXDLGGYGHWSMUIO-UHFFFAOYSA-N
XLogP0.07
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidin-2-yl]acetic acid
CID 54899679
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62015297
(2S)-2-[(2R)-2-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 124777655
N-carbamoyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 79028212
methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79407384
tert-butyl (2S)-1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 115537272
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
1-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469380
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
CID 55243368
N-ethyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62015104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 62469409) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is XDLGGYGHWSMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-9(11(17)14-12(18)13-2)15-7-3-5-10(15)6-4-8-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14,17,18).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 257.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 62469409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).