(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid

C16H23NO2 — CID 97018847

IUPAC(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C[C@H](C(=O)O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(16(18)19)17-6-4-5-7-17/h8-9,15H,4-7,10H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyKXYLJBARJZAEHX-OAHLLOKOSA-N
MW261.37 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid

(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid (PubChem CID 97018847) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
PubChem CID97018847
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
SMILESCc1cc(C)c(C[C@H](C(=O)O)N2CCCC2)c(C)c1
InChIInChI=1S/C16H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(16(18)19)17-6-4-5-7-17/h8-9,15H,4-7,10H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyKXYLJBARJZAEHX-OAHLLOKOSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 83736200
(2R)-3-(2,6-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 100552037
(2S)-3-(5-chloro-2-methylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 94695695
3-(4-ethylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82086532
3-(2,6-dimethylphenyl)-2-(4-phenylpiperazin-1-yl)propanoic acid
CID 133241457
3-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 64527351
(2S)-3-(4-butylphenyl)-2-piperidin-1-ylpropanoic acid
CID 100553874
2-(azocan-1-yl)butanoic acid
CID 43808973
3-(4-methoxyphenyl)-2-piperidin-1-ylpropanoic acid
CID 82091210
(2R)-3-(4-iodophenyl)-2-piperidin-1-ylpropanoic acid
CID 100552666
(2R)-2-(diethylamino)-3-(2,4,6-trimethylphenyl)propanoic acid
CID 100554282
2-acetamido-3-(2,4,6-trimethylphenyl)propanoic acid
CID 54847012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid (CID 97018847) is (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid is Cc1cc(C)c(C[C@H](C(=O)O)N2CCCC2)c(C)c1.
What is the InChIKey of (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid?
The InChIKey is KXYLJBARJZAEHX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-12(2)14(13(3)9-11)10-15(16(18)19)17-6-4-5-7-17/h8-9,15H,4-7,10H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid?
(2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)propanoic acid is sourced from PubChem (CID 97018847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).