1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid

C18H22N2O4 — CID 120688398

IUPAC1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(N2CC(C(=O)NC3(C(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-2-3-12-4-6-14(7-5-12)20-11-13(10-15(20)21)16(22)19-18(8-9-18)17(23)24/h4-7,13H,2-3,8-11H2,1H3,(H,19,22)(H,23,24)
InChIKeyVHPHXTAXLDBAID-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.73
Rot. Bonds6

About 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid

1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 120688398) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID120688398
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCCCc1ccc(N2CC(C(=O)NC3(C(=O)O)CC3)CC2=O)cc1
InChIInChI=1S/C18H22N2O4/c1-2-3-12-4-6-14(7-5-12)20-11-13(10-15(20)21)16(22)19-18(8-9-18)17(23)24/h4-7,13H,2-3,8-11H2,1H3,(H,19,22)(H,23,24)
InChIKeyVHPHXTAXLDBAID-UHFFFAOYSA-N
XLogP1.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416
(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 31824190
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
1-[[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95578629
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-[[(3S)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700111
1-[[(3R)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 124700448
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 120948417
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 42890394
N-[1-(ethylcarbamoyl)cyclohexyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55768084

Frequently Asked Questions

What is the IUPAC name of 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid (CID 120688398) is 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid is CCCc1ccc(N2CC(C(=O)NC3(C(=O)O)CC3)CC2=O)cc1.
What is the InChIKey of 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is VHPHXTAXLDBAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-3-12-4-6-14(7-5-12)20-11-13(10-15(20)21)16(22)19-18(8-9-18)17(23)24/h4-7,13H,2-3,8-11H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid?
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120688398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).