2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C14H27N3O3 — CID 62469419

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C14H27N3O3/c1-11(2)9-15-14(20)16-13(19)10-17-7-3-5-12(17)6-4-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyRGUVJQZJHOWUBU-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.71
Rot. Bonds7

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 62469419) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID62469419
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C14H27N3O3/c1-11(2)9-15-14(20)16-13(19)10-17-7-3-5-12(17)6-4-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyRGUVJQZJHOWUBU-UHFFFAOYSA-N
XLogP0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848
2-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 86952077
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 102788347
methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 81492867
2-(3-methylpiperidin-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 51170637
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 62015118
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 62469419) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is RGUVJQZJHOWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)9-15-14(20)16-13(19)10-17-7-3-5-12(17)6-4-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 0.71, 7 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-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 62469419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).