2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid

C18H19F3N2O4 — CID 71915617

IUPAC2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1C(F)(F)F)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)13-4-2-1-3-12(13)15(17(26)27)22-16(25)11-7-14(24)23(9-11)8-10-5-6-10/h1-4,10-11,15H,5-9H2,(H,22,25)(H,26,27)
InChIKeyGMSQEWDGVHKZDS-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.21
Rot. Bonds6

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

2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 71915617) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID71915617
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1C(F)(F)F)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C18H19F3N2O4/c19-18(20,21)13-4-2-1-3-12(13)15(17(26)27)22-16(25)11-7-14(24)23(9-11)8-10-5-6-10/h1-4,10-11,15H,5-9H2,(H,22,25)(H,26,27)
InChIKeyGMSQEWDGVHKZDS-UHFFFAOYSA-N
XLogP2.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 97185645
(2S,3S)-3-[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 100901057
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54895164
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 43353286
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641
1-(cyclopropylmethyl)-N-[2-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 61497970
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
(3R)-N-[(R)-cyclopentyl(pyridin-2-yl)methyl]-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97218411
5-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-3-carboxylic acid
CID 168691313
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 71915617) is 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid is O=C(NC(C(=O)O)c1ccccc1C(F)(F)F)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is GMSQEWDGVHKZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c19-18(20,21)13-4-2-1-3-12(13)15(17(26)27)22-16(25)11-7-14(24)23(9-11)8-10-5-6-10/h1-4,10-11,15H,5-9H2,(H,22,25)(H,26,27).
What are the key properties of 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 384.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 71915617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).