(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid

C14H18N2O3 — CID 103870802

IUPAC(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-5-10(15)13(17)16-11-7-4-3-6-9(11)8-12(16)14(18)19/h3-4,6-7,10,12H,2,5,8,15H2,1H3,(H,18,19)/t10-,12+/m1/s1
InChIKeyBSGMQVXAPOSZRH-PWSUYJOCSA-N
MW262.31 g/mol
LogP1.16
Rot. Bonds4

About (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid

(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 103870802) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID103870802
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCC[C@@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)O
InChIInChI=1S/C14H18N2O3/c1-2-5-10(15)13(17)16-11-7-4-3-6-9(11)8-12(16)14(18)19/h3-4,6-7,10,12H,2,5,8,15H2,1H3,(H,18,19)/t10-,12+/m1/s1
InChIKeyBSGMQVXAPOSZRH-PWSUYJOCSA-N
XLogP1.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminopentanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967654
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
(2S)-1-(2-ethylhexanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61143505
1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 13105676
(2S)-1-[(2R)-5-ethoxy-2-methyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105695
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
(2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105688
(2S)-1-[(2R)-5-ethoxy-5-oxo-2-propan-2-ylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 22822753
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 115286864

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 103870802) is (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid is CCC[C@@H](N)C(=O)N1c2ccccc2C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is BSGMQVXAPOSZRH-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-5-10(15)13(17)16-11-7-4-3-6-9(11)8-12(16)14(18)19/h3-4,6-7,10,12H,2,5,8,15H2,1H3,(H,18,19)/t10-,12+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 103870802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).