1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C17H23N3O5 — CID 122075521

IUPAC1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)COc1cccc(NC(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C17H23N3O5/c1-3-18-14(21)10-25-13-6-4-5-12(9-13)19-16(24)20-8-7-17(2,11-20)15(22)23/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyHRMRTXNAYWBQPP-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.53
Rot. Bonds6

About 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122075521) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122075521
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)COc1cccc(NC(=O)N2CCC(C)(C(=O)O)C2)c1
InChIInChI=1S/C17H23N3O5/c1-3-18-14(21)10-25-13-6-4-5-12(9-13)19-16(24)20-8-7-17(2,11-20)15(22)23/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,18,21)(H,19,24)(H,22,23)
InChIKeyHRMRTXNAYWBQPP-UHFFFAOYSA-N
XLogP1.53
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(3-pyridin-4-yloxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122080073
3-methyl-1-[(3-nitrophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145879
N-ethyl-2-[3-(methylamino)phenoxy]acetamide
CID 143296990
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
1-[(3-ethoxy-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076607
1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085501
1-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091939
1-[[3-(butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122074858
3-methyl-1-[(2-phenylpyrimidin-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076984
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 71912046
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 136576931

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122075521) is 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CCNC(=O)COc1cccc(NC(=O)N2CCC(C)(C(=O)O)C2)c1.
What is the InChIKey of 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HRMRTXNAYWBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-3-18-14(21)10-25-13-6-4-5-12(9-13)19-16(24)20-8-7-17(2,11-20)15(22)23/h4-6,9H,3,7-8,10-11H2,1-2H3,(H,18,21)(H,19,24)(H,22,23).
What are the key properties of 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122075521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).