4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

C12H19F3N2O3 — CID 63710951

IUPAC4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O3/c1-10(2,4-3-8(18)19)17-9(20)11(12(13,14)15)5-6-16-7-11/h16H,3-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZGYCKKVZFZLJCI-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.29
Rot. Bonds5

About 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 63710951) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID63710951
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O3/c1-10(2,4-3-8(18)19)17-9(20)11(12(13,14)15)5-6-16-7-11/h16H,3-7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyZGYCKKVZFZLJCI-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4-Trimethyl-4-[(3,3,3-trifluoro-2,2-dimethylpropyl)amino]pentanoic acid
CID 89301302
1-[3-(Methylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226699
1-[3-(Ethylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226876
1-[4-(Methylamino)butanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 55226877
4-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 55227462
2-[[3-(Trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 55227642
1-[3-(Propan-2-ylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708354
1-[3-(Ethylamino)butanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708698
1-[3-(Tert-butylamino)propanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709428
1-[3-(Ethylamino)-2-methylpropanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709607
1-[3-Oxo-3-(propan-2-ylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709639
1-[4-(Propan-2-ylamino)butanoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709973

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (CID 63710951) is 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is ZGYCKKVZFZLJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-10(2,4-3-8(18)19)17-9(20)11(12(13,14)15)5-6-16-7-11/h16H,3-7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 296.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 63710951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).