2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid

C16H23NO2 — CID 62272328

IUPAC2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-3-16(2,15(18)19)12-17-10-9-14(11-17)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyJFKZHVPHSFDMEH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid

2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid (PubChem CID 62272328) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
PubChem CID62272328
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCC(c2ccccc2)C1)C(=O)O
InChIInChI=1S/C16H23NO2/c1-3-16(2,15(18)19)12-17-10-9-14(11-17)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,18,19)
InChIKeyJFKZHVPHSFDMEH-UHFFFAOYSA-N
XLogP2.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894
N-ethyl-2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62255996
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylbutanoic acid
CID 62271000
2-amino-2-cyclopropyl-3-(3-phenylpyrrolidin-1-yl)propanamide
CID 63926602
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
2-methyl-3-(3-phenylpyrrolidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64788383
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid (CID 62272328) is 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid is CCC(C)(CN1CCC(c2ccccc2)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid?
The InChIKey is JFKZHVPHSFDMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-16(2,15(18)19)12-17-10-9-14(11-17)13-7-5-4-6-8-13/h4-8,14H,3,9-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid?
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 62272328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).