2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid

C16H29NO2 — CID 62270681

IUPAC2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)12-17-11-7-10-14(17)13-8-5-6-9-13/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyWIUSXSCMXBIPCS-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds6

About 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid

2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid (PubChem CID 62270681) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid
PubChem CID62270681
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN1CCCC1C1CCCC1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)12-17-11-7-10-14(17)13-8-5-6-9-13/h13-14H,3-12H2,1-2H3,(H,18,19)
InChIKeyWIUSXSCMXBIPCS-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 102725623
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylpropanoic acid
CID 65324915
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2,2-dimethylpropanoic acid
CID 82750528
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 55055374
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 102728025
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)pentan-3-amine
CID 79812295
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutan-2-amine
CID 79811502
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]prop-2-enoic acid
CID 102727093
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 62258697
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
CID 106805876
2-ethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]butanoic acid
CID 81200453

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid (CID 62270681) is 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid is CCC(CC)(CN1CCCC1C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid?
The InChIKey is WIUSXSCMXBIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-16(4-2,15(18)19)12-17-11-7-10-14(17)13-8-5-6-9-13/h13-14H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid?
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 62270681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).