1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

C12H20F3NO5 — CID 162319699

IUPAC1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)(CO)CN1CCCC1C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO3.C2HF3O2/c1-10(2,7-12)6-11-5-3-4-8(11)9(13)14;3-2(4,5)1(6)7/h8,12H,3-7H2,1-2H3,(H,13,14);(H,6,7)
InChIKeyPRPNLYOGPCORAE-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.19
Rot. Bonds4

About 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid

1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 162319699) has the molecular formula C12H20F3NO5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID162319699
Molecular FormulaC12H20F3NO5
Molecular Weight315.29 g/mol
Exact Mass315.13
IUPAC Name1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESCC(C)(CO)CN1CCCC1C(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H19NO3.C2HF3O2/c1-10(2,7-12)6-11-5-3-4-8(11)9(13)14;3-2(4,5)1(6)7/h8,12H,3-7H2,1-2H3,(H,13,14);(H,6,7)
InChIKeyPRPNLYOGPCORAE-UHFFFAOYSA-N
XLogP1.19
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid (CID 162319699) is 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is CC(C)(CO)CN1CCCC1C(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is PRPNLYOGPCORAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C2HF3O2/c1-10(2,7-12)6-11-5-3-4-8(11)9(13)14;3-2(4,5)1(6)7/h8,12H,3-7H2,1-2H3,(H,13,14);(H,6,7).
What are the key properties of 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid?
1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 315.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162319699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).