3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C15H15N3O3 — CID 154769660

IUPAC3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1[nH]cnc1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H15N3O3/c1-8-13(17-7-16-8)14(19)18-12-6-11(15(20)21)9-4-2-3-5-10(9)12/h2-5,7,11-12H,6H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyRSRSMMUCDUWQDN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.76
Rot. Bonds3

About 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 154769660) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID154769660
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1[nH]cnc1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H15N3O3/c1-8-13(17-7-16-8)14(19)18-12-6-11(15(20)21)9-4-2-3-5-10(9)12/h2-5,7,11-12H,6H2,1H3,(H,16,17)(H,18,19)(H,20,21)
InChIKeyRSRSMMUCDUWQDN-UHFFFAOYSA-N
XLogP1.76
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 154769660) is 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is Cc1[nH]cnc1C(=O)NC1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is RSRSMMUCDUWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-13(17-7-16-8)14(19)18-12-6-11(15(20)21)9-4-2-3-5-10(9)12/h2-5,7,11-12H,6H2,1H3,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazole-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 154769660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).