(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid

C18H22N2O4 — CID 124697321

IUPAC(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C18H22N2O4/c1-12-2-4-13(5-3-12)10-20-15(6-7-16(20)21)17(22)19-9-8-14(11-19)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyYNZRXSRVJXANQJ-HUUCEWRRSA-N
MW330.38 g/mol
LogP1.42
Rot. Bonds4

About (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 124697321) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
PubChem CID124697321
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C18H22N2O4/c1-12-2-4-13(5-3-12)10-20-15(6-7-16(20)21)17(22)19-9-8-14(11-19)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24)/t14-,15-/m1/s1
InChIKeyYNZRXSRVJXANQJ-HUUCEWRRSA-N
XLogP1.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248281
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
(3aS,6aR)-2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683266
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
(3S)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697232
(3R)-1-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124697224
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 175838048
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid (CID 124697321) is (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid is Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YNZRXSRVJXANQJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12-2-4-13(5-3-12)10-20-15(6-7-16(20)21)17(22)19-9-8-14(11-19)18(23)24/h2-5,14-15H,6-11H2,1H3,(H,23,24)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124697321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).