2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid

C14H16N2O3 — CID 103999798

IUPAC2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1CC1NC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C14H16N2O3/c1-8-4-12(8)15-14(19)16-6-10-3-2-9(13(17)18)5-11(10)7-16/h2-3,5,8,12H,4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeySIFZHIDDQXHFFO-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.82
Rot. Bonds2

About 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid

2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid (PubChem CID 103999798) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
PubChem CID103999798
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
SMILESCC1CC1NC(=O)N1Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C14H16N2O3/c1-8-4-12(8)15-14(19)16-6-10-3-2-9(13(17)18)5-11(10)7-16/h2-3,5,8,12H,4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeySIFZHIDDQXHFFO-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(piperidin-4-ylcarbamoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999757
2-(2-methylcyclopentanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 107175900
2-[(2-amino-2-oxoethyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999653
2-(3,4-dimethylcyclohexyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103999984
2-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997266
2-(3-methoxycyclobutanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 136556441
2-(2-acetamidopropanoyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997282
2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997295
2-[(4-amino-4-oxobutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103999743
2-(cyclohexanecarbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997148
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
2-(2,3-dimethylquinoxaline-6-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 146095795

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid (CID 103999798) is 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid is CC1CC1NC(=O)N1Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
The InChIKey is SIFZHIDDQXHFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-4-12(8)15-14(19)16-6-10-3-2-9(13(17)18)5-11(10)7-16/h2-3,5,8,12H,4,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid?
2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid is sourced from PubChem (CID 103999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).