1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

C14H17N3O4 — CID 80563519

IUPAC1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCNC(=O)NC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-2-15-14(21)16-12(18)8-17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,10H,2,7-8H2,1H3,(H,19,20)(H2,15,16,18,21)
InChIKeyHTTFWKOVPTXQCK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80563519) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID80563519
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCNC(=O)NC(=O)CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17N3O4/c1-2-15-14(21)16-12(18)8-17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,10H,2,7-8H2,1H3,(H,19,20)(H2,15,16,18,21)
InChIKeyHTTFWKOVPTXQCK-UHFFFAOYSA-N
XLogP0.52
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid (CID 80563519) is 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid is CCNC(=O)NC(=O)CN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is HTTFWKOVPTXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-2-15-14(21)16-12(18)8-17-7-10(13(19)20)9-5-3-4-6-11(9)17/h3-6,10H,2,7-8H2,1H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80563519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).