(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid

C14H15NO3 — CID 61143649

IUPAC(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC1CC1C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H15NO3/c1-8-6-10(8)13(16)15-11-5-3-2-4-9(11)7-12(15)14(17)18/h2-5,8,10,12H,6-7H2,1H3,(H,17,18)/t8?,10?,12-/m0/s1
InChIKeyQKPZCSFUYRXUTD-VCJLRHCSSA-N
MW245.28 g/mol
LogP1.68
Rot. Bonds2

About (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61143649) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID61143649
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC1CC1C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H15NO3/c1-8-6-10(8)13(16)15-11-5-3-2-4-9(11)7-12(15)14(17)18/h2-5,8,10,12H,6-7H2,1H3,(H,17,18)/t8?,10?,12-/m0/s1
InChIKeyQKPZCSFUYRXUTD-VCJLRHCSSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764226
1-(2-methylprop-2-enoyl)-2,3-dihydroindole-2-carboxylic acid
CID 12764223
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 65270017
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
CID 10108440
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-(oxolane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143791
(2S)-1-(2-amino-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 79805266

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 61143649) is (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid is CC1CC1C(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QKPZCSFUYRXUTD-VCJLRHCSSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-6-10(8)13(16)15-11-5-3-2-4-9(11)7-12(15)14(17)18/h2-5,8,10,12H,6-7H2,1H3,(H,17,18)/t8?,10?,12-/m0/s1.
What are the key properties of (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylcyclopropanecarbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61143649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).