2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid

C17H23NO4 — CID 119184827

IUPAC2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCC(C)CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C17H23NO4/c1-12(2)8-13-6-7-18(10-13)17(21)14-4-3-5-15(9-14)22-11-16(19)20/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyCACVNRMHARDITL-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.66
Rot. Bonds6

About 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid

2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid (PubChem CID 119184827) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
PubChem CID119184827
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
SMILESCC(C)CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)C1
InChIInChI=1S/C17H23NO4/c1-12(2)8-13-6-7-18(10-13)17(21)14-4-3-5-15(9-14)22-11-16(19)20/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyCACVNRMHARDITL-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 119186986
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
2-[3-[(3S)-3-(difluoromethoxy)pyrrolidine-1-carbonyl]phenoxy]acetic acid
CID 146136334
2-[3-(2-propan-2-ylmorpholine-4-carbonyl)phenoxy]acetic acid
CID 120550406
2-[3-(4-ethenylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 120550130
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
2-[3-(4-phenylazepane-1-carbonyl)phenoxy]acetic acid
CID 119184005
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 114802085
2-[1-[3-(3-methylbut-2-enoxy)benzoyl]piperidin-4-yl]acetic acid
CID 119178622
2-[3-[4-(2-fluorophenyl)piperidine-1-carbonyl]phenoxy]acetic acid
CID 136552733
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid (CID 119184827) is 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid is CC(C)CC1CCN(C(=O)c2cccc(OCC(=O)O)c2)C1.
What is the InChIKey of 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
The InChIKey is CACVNRMHARDITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)8-13-6-7-18(10-13)17(21)14-4-3-5-15(9-14)22-11-16(19)20/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid?
2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid has a molecular weight of 305.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methylpropyl)pyrrolidine-1-carbonyl]phenoxy]acetic acid is sourced from PubChem (CID 119184827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).