(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid

C14H17N3O4 — CID 61465604

IUPAC(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-10-6-4-3-5-9(10)7-11(17)13(19)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t8?,11-/m0/s1
InChIKeyMAOQSPPSBUYZTB-LYNSQETBSA-N
MW291.31 g/mol
LogP0.35
Rot. Bonds3

About (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61465604) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID61465604
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCNC(=O)C(C)NC(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-10-6-4-3-5-9(10)7-11(17)13(19)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t8?,11-/m0/s1
InChIKeyMAOQSPPSBUYZTB-LYNSQETBSA-N
XLogP0.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid with MolForge

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Related Compounds

1-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 68761023
(2S)-1-(2,3-dimethylbutylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 64599026
(2S)-1-(1-methylsulfanylbutan-2-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104867149
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(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
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-(2-methylprop-2-enylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 104940149
(2S)-1-(3-methylpentan-3-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 106330706
(2S)-1-[(1-methylpyrrolidin-3-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61465002
1-[methyl(3-methylbutan-2-yl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid
CID 61202892

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid (CID 61465604) is (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid is CNC(=O)C(C)NC(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is MAOQSPPSBUYZTB-LYNSQETBSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8(12(18)15-2)16-14(21)17-10-6-4-3-5-9(10)7-11(17)13(19)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t8?,11-/m0/s1.
What are the key properties of (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61465604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).