(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid

C14H16N2O3 — CID 104940149

IUPAC(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESC=C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)8-15-14(19)16-11-6-4-3-5-10(11)7-12(16)13(17)18/h3-6,12H,1,7-8H2,2H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyNLNJYEOGCDPYPG-LBPRGKRZSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds3

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

(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 104940149) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID104940149
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESC=C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H16N2O3/c1-9(2)8-15-14(19)16-11-6-4-3-5-10(11)7-12(16)13(17)18/h3-6,12H,1,7-8H2,2H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyNLNJYEOGCDPYPG-LBPRGKRZSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61201079
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
(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
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[3-(dimethylamino)propylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61190065
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 62636188
1-(3,3,3-trifluoropropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 63227411
(2S)-1-(3-cyclopropylpropylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104876622
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465604
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid (CID 104940149) is (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is C=C(C)CNC(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is NLNJYEOGCDPYPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)8-15-14(19)16-11-6-4-3-5-10(11)7-12(16)13(17)18/h3-6,12H,1,7-8H2,2H3,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 104940149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).