(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

C12H17F3N2O4 — CID 107562754

IUPAC(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C12H17F3N2O4/c1-2-3-8(11(20)21)16-10(19)7-4-9(18)17(5-7)6-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)(H,20,21)/t7?,8-/m1/s1
InChIKeyUQMHCVVEGHPLDX-BRFYHDHCSA-N
MW310.27 g/mol
LogP0.77
Rot. Bonds6

About (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 107562754) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID107562754
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O
InChIInChI=1S/C12H17F3N2O4/c1-2-3-8(11(20)21)16-10(19)7-4-9(18)17(5-7)6-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)(H,20,21)/t7?,8-/m1/s1
InChIKeyUQMHCVVEGHPLDX-BRFYHDHCSA-N
XLogP0.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119367466
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 43630818
2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43469719
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
N-(1-amino-4-methylpentan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119588212
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120652292
3-(1H-indol-3-yl)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119201465
N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115884600
4-hydroxy-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 61244580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (CID 107562754) is (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)C1CC(=O)N(CC(F)(F)F)C1)C(=O)O.
What is the InChIKey of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is UQMHCVVEGHPLDX-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c1-2-3-8(11(20)21)16-10(19)7-4-9(18)17(5-7)6-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)(H,20,21)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 310.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107562754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).