(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid

C10H16F3NO4 — CID 69439969

IUPAC(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESCN[C@H](C(=O)O)C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-9-7(8(10)11)6-4-2-3-5-6;3-2(4,5)1(6)7/h6-7,9H,2-5H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1
InChIKeyLYKHLUOPRABBPI-FJXQXJEOSA-N
MW271.23 g/mol
LogP1.48
Rot. Bonds3

About (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid

(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 69439969) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID69439969
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Name(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid
SMILESCN[C@H](C(=O)O)C1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO2.C2HF3O2/c1-9-7(8(10)11)6-4-2-3-5-6;3-2(4,5)1(6)7/h6-7,9H,2-5H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1
InChIKeyLYKHLUOPRABBPI-FJXQXJEOSA-N
XLogP1.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(S)-3-Cyclohexyl-2-(methylamino)propanoic acid
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CID 97337446
4-(3-Fluoropropyl)piperidine-2-carboxylic acid
CID 18446265
4-(4,4-Difluoropentyl)piperidine-2-carboxylic acid
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4-(3,3-Difluoropropyl)-4-fluoropiperidine-2-carboxylic acid
CID 18446276
4-Fluoro-4-propylpiperidine-2-carboxylic acid
CID 18446280
4-(2,2-Difluoropentyl)pyrrolidine-2-carboxylic acid
CID 21076014
4-(3,3-Difluorobutyl)pyrrolidine-2-carboxylic acid
CID 21076017
4-(3,3-Difluoropentyl)pyrrolidine-2-carboxylic acid
CID 21076019

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid (CID 69439969) is (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid is CN[C@H](C(=O)O)C1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is LYKHLUOPRABBPI-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.C2HF3O2/c1-9-7(8(10)11)6-4-2-3-5-6;3-2(4,5)1(6)7/h6-7,9H,2-5H2,1H3,(H,10,11);(H,6,7)/t7-;/m0./s1.
What are the key properties of (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid?
(2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 271.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-(methylamino)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69439969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).