2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

C15H20N2O4 — CID 62871728

IUPAC2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(NC(=O)N2CCCC2CC(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-10-8-12(21-2)5-6-13(10)16-15(20)17-7-3-4-11(17)9-14(18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMSNYXBICGFFCHQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid

2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (PubChem CID 62871728) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
PubChem CID62871728
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
SMILESCOc1ccc(NC(=O)N2CCCC2CC(=O)O)c(C)c1
InChIInChI=1S/C15H20N2O4/c1-10-8-12(21-2)5-6-13(10)16-15(20)17-7-3-4-11(17)9-14(18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyMSNYXBICGFFCHQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]piperidin-2-yl]acetate
CID 56890366
2-[1-[(2-bromo-4-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61372529
2-[1-[(2,4-dibromophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61476008
2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
2-[1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107602147
2-[1-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114840396
(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 118788669
N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 71915900
2-[1-[(2-bromo-4-cyanophenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 107792195
2-[1-[(2-ethylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61190378
2-[1-[(4-fluoro-2-iodophenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 79760864

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid (CID 62871728) is 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is COc1ccc(NC(=O)N2CCCC2CC(=O)O)c(C)c1.
What is the InChIKey of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MSNYXBICGFFCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-8-12(21-2)5-6-13(10)16-15(20)17-7-3-4-11(17)9-14(18)19/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 62871728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).