2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

C14H27N3O3 — CID 115648180

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C14H27N3O3/c1-11(2)3-6-15-14(20)16-13(19)10-17-7-4-12(9-17)5-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyLEYCOFGBUYTYIN-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.56
Rot. Bonds7

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 115648180) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID115648180
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN1CCC(CCO)C1
InChIInChI=1S/C14H27N3O3/c1-11(2)3-6-15-14(20)16-13(19)10-17-7-4-12(9-17)5-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20)
InChIKeyLEYCOFGBUYTYIN-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 62356143
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 106672699
N-(cyclopentylcarbamoyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647897
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
N-butyl-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648230
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 62064117
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 115648213
2-[1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684137
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide (CID 115648180) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN1CCC(CCO)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is LEYCOFGBUYTYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)3-6-15-14(20)16-13(19)10-17-7-4-12(9-17)5-8-18/h11-12,18H,3-10H2,1-2H3,(H2,15,16,19,20).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 285.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 115648180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).