2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid

C15H20N2O4 — CID 103536092

IUPAC2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
SMILESCOC1CCN(C(=O)N(CC(=O)O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-11-3-5-12(6-4-11)17(10-14(18)19)15(20)16-8-7-13(9-16)21-2/h3-6,13H,7-10H2,1-2H3,(H,18,19)
InChIKeySIQFAUMTFOSSBJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.73
Rot. Bonds4

About 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid

2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid (PubChem CID 103536092) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
PubChem CID103536092
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
SMILESCOC1CCN(C(=O)N(CC(=O)O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H20N2O4/c1-11-3-5-12(6-4-11)17(10-14(18)19)15(20)16-8-7-13(9-16)21-2/h3-6,13H,7-10H2,1-2H3,(H,18,19)
InChIKeySIQFAUMTFOSSBJ-UHFFFAOYSA-N
XLogP1.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
CID 55132152
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 103531291
2-(4-methyl-N-(2-piperazin-1-ylacetyl)anilino)acetic acid
CID 61159721
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-(4-methoxy-N-(1-methoxycarbonylpiperidine-4-carbonyl)anilino)acetic acid
CID 20871784

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid (CID 103536092) is 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid is COC1CCN(C(=O)N(CC(=O)O)c2ccc(C)cc2)C1.
What is the InChIKey of 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid?
The InChIKey is SIQFAUMTFOSSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-3-5-12(6-4-11)17(10-14(18)19)15(20)16-8-7-13(9-16)21-2/h3-6,13H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid?
2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid has a molecular weight of 292.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid is sourced from PubChem (CID 103536092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).