2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid

C15H25NO3 — CID 178086894

IUPAC2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CCCC1C1CCCO1
InChIInChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18)
InChIKeyDPKBAAKZSNJNKJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.27
Rot. Bonds4

About 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid

2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 178086894) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
PubChem CID178086894
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CCCC1C1CCCO1
InChIInChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18)
InChIKeyDPKBAAKZSNJNKJ-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methoxyethyl)-4-pentylpyrrolidine-2-carboxylic acid
CID 18446316
(2S)-4-(oxolan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 151123432
2-[(5R)-2-formyl-5-(hydroxymethyl)pyrrolidin-1-yl]ethyl 3-cyclopentylpropanoate
CID 174502059
(2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetic acid
CID 178086649
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
CID 178087243
2-Cyclopentyl-2-(oxolan-2-ylmethylamino)acetic acid
CID 62070198
1-(Oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66469300
1-[2-(Oxolan-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66471105
2-[8-(Oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79605993
1-(2-Methyloxolan-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 82719348
1-[(5-Methyloxolan-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 82839538

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid (CID 178086894) is 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid is O=C(O)C(C1CCCC1)N1CCCC1C1CCCO1.
What is the InChIKey of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is DPKBAAKZSNJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-15(18)14(11-5-1-2-6-11)16-9-3-7-12(16)13-8-4-10-19-13/h11-14H,1-10H2,(H,17,18).
What are the key properties of 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid?
2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 178086894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).