(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C15H19NO3 — CID 78922373

IUPAC(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-11-4-2-5-12(10-11)7-8-14(17)16-9-3-6-13(16)15(18)19/h2,4-5,10,13H,3,6-9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeySSZNKXLTXQMKLR-CYBMUJFWSA-N
MW261.32 g/mol
LogP2.00
Rot. Bonds4

About (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922373) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922373
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CCC(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-11-4-2-5-12(10-11)7-8-14(17)16-9-3-6-13(16)15(18)19/h2,4-5,10,13H,3,6-9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeySSZNKXLTXQMKLR-CYBMUJFWSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356438
(2S)-1-[3-(3-bromophenyl)propanoyl]piperidine-2-carboxylic acid
CID 66262981
1-[2-(chloromethyl)pyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 55187996
1-[3-(3-bromophenyl)propanoyl]azepane-2-carboxylic acid
CID 64559561
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
(2S)-1-[3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365191
1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 154802314
1-[2-(aminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 62366943
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 80676752
1-[2-(aminomethyl)azepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 116639940

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid (CID 78922373) is (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid is Cc1cccc(CCC(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SSZNKXLTXQMKLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-4-2-5-12(10-11)7-8-14(17)16-9-3-6-13(16)15(18)19/h2,4-5,10,13H,3,6-9H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).