2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid

C19H24N2O5 — CID 119246596

IUPAC2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O5/c22-17-9-14(11-21(17)15-5-1-2-6-15)19(25)20-10-13-4-3-7-16(8-13)26-12-18(23)24/h3-4,7-8,14-15H,1-2,5-6,9-12H2,(H,20,25)(H,23,24)
InChIKeyWGIKDYBTZSIAND-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.56
Rot. Bonds7

About 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid

2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 119246596) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID119246596
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O5/c22-17-9-14(11-21(17)15-5-1-2-6-15)19(25)20-10-13-4-3-7-16(8-13)26-12-18(23)24/h3-4,7-8,14-15H,1-2,5-6,9-12H2,(H,20,25)(H,23,24)
InChIKeyWGIKDYBTZSIAND-UHFFFAOYSA-N
XLogP1.56
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791
(3R)-1-cyclopropyl-N-[[3-(difluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 94348927
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
2-[3-[[[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenoxy]acetic acid
CID 119246761
1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
1-cyclobutyl-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 110687475
2-[3-[[(1-ethylsulfonylpiperidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246551
1-cyclohexyl-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4246129
1-cyclopentyl-5-oxo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55636175
3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125149425

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid (CID 119246596) is 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid is O=C(O)COc1cccc(CNC(=O)C2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is WGIKDYBTZSIAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c22-17-9-14(11-21(17)15-5-1-2-6-15)19(25)20-10-13-4-3-7-16(8-13)26-12-18(23)24/h3-4,7-8,14-15H,1-2,5-6,9-12H2,(H,20,25)(H,23,24).
What are the key properties of 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).