2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid

C19H24N2O4S — CID 119240650

IUPAC2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O4S/c22-17-9-14(10-21(17)16-6-1-2-7-16)19(25)20-15-5-3-4-13(8-15)11-26-12-18(23)24/h3-5,8,14,16H,1-2,6-7,9-12H2,(H,20,25)(H,23,24)
InChIKeyNBCMUVMBAKORGP-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.73
Rot. Bonds7

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

2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid (PubChem CID 119240650) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
PubChem CID119240650
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
SMILESO=C(O)CSCc1cccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O4S/c22-17-9-14(10-21(17)16-6-1-2-7-16)19(25)20-15-5-3-4-13(8-15)11-26-12-18(23)24/h3-5,8,14,16H,1-2,6-7,9-12H2,(H,20,25)(H,23,24)
InChIKeyNBCMUVMBAKORGP-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241080
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72931407
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95089235
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
N-(3-cyclopentyloxyphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 42949314

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid?
The IUPAC name of 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid (CID 119240650) is 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid?
The canonical SMILES for 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid is O=C(O)CSCc1cccc(NC(=O)C2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid?
The InChIKey is NBCMUVMBAKORGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-17-9-14(10-21(17)16-6-1-2-7-16)19(25)20-15-5-3-4-13(8-15)11-26-12-18(23)24/h3-5,8,14,16H,1-2,6-7,9-12H2,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid?
2-[[3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methylsulfanyl]acetic acid has a molecular weight of 376.48 g/mol, XLogP of 2.73, 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]phenyl]methylsulfanyl]acetic acid is sourced from PubChem (CID 119240650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).