3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid

C19H24N2O4 — CID 119136689

IUPAC3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4/c22-17-10-14(12-21(17)15-8-4-5-9-15)19(25)20-16(11-18(23)24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,20,25)(H,23,24)
InChIKeyUTDMQXXXIPNDJN-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.11
Rot. Bonds6

About 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 119136689) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID119136689
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C19H24N2O4/c22-17-10-14(12-21(17)15-8-4-5-9-15)19(25)20-16(11-18(23)24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,20,25)(H,23,24)
InChIKeyUTDMQXXXIPNDJN-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(2-hydroxy-1-phenylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110931202
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
(3S)-1-cyclopropyl-N-[(1S)-1,2-diphenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 32580925
1-cyclopentyl-5-oxo-N-[phenyl(thiophen-2-yl)methyl]pyrrolidine-3-carboxamide
CID 46566073
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
methyl 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 86917257
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
1-cyclopentyl-N-(dicyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 71943339
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3S)-N-[(S)-cyclohexyl(phenyl)methyl]-1-[(3S)-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 124792699

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid (CID 119136689) is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)C1CC(=O)N(C2CCCC2)C1)c1ccccc1.
What is the InChIKey of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is UTDMQXXXIPNDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-10-14(12-21(17)15-8-4-5-9-15)19(25)20-16(11-18(23)24)13-6-2-1-3-7-13/h1-3,6-7,14-16H,4-5,8-12H2,(H,20,25)(H,23,24).
What are the key properties of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid?
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119136689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).