1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C18H24N4O4 — CID 122085501

IUPAC1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)N1CCc2ccc(NC(=O)N3CCC(C)(C(=O)O)C3)cc21
InChIInChI=1S/C18H24N4O4/c1-3-19-16(25)22-8-6-12-4-5-13(10-14(12)22)20-17(26)21-9-7-18(2,11-21)15(23)24/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,25)(H,20,26)(H,23,24)
InChIKeyUUGKPLHQUUATKH-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.11
Rot. Bonds3

About 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122085501) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122085501
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCNC(=O)N1CCc2ccc(NC(=O)N3CCC(C)(C(=O)O)C3)cc21
InChIInChI=1S/C18H24N4O4/c1-3-19-16(25)22-8-6-12-4-5-13(10-14(12)22)20-17(26)21-9-7-18(2,11-21)15(23)24/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,25)(H,20,26)(H,23,24)
InChIKeyUUGKPLHQUUATKH-UHFFFAOYSA-N
XLogP2.11
TPSA101.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(ethylcarbamoylamino)-2-methylphenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091939
1-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122075810
3-methyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079385
1-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075521
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-[(3-ethoxy-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122076607
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
1-[[3,4-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122085936
N-ethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119801398
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656
3-methyl-1-[(1-methylindol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091024

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122085501) is 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CCNC(=O)N1CCc2ccc(NC(=O)N3CCC(C)(C(=O)O)C3)cc21.
What is the InChIKey of 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UUGKPLHQUUATKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-19-16(25)22-8-6-12-4-5-13(10-14(12)22)20-17(26)21-9-7-18(2,11-21)15(23)24/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,25)(H,20,26)(H,23,24).
What are the key properties of 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122085501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).