methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate

C15H22N2O2 — CID 170884527

IUPACmethyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
SMILESCCCN1CCc2cc(CC(N)C(=O)OC)ccc21
InChIInChI=1S/C15H22N2O2/c1-3-7-17-8-6-12-9-11(4-5-14(12)17)10-13(16)15(18)19-2/h4-5,9,13H,3,6-8,10,16H2,1-2H3
InChIKeyIMHIKKIVQYLQNK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds5

About methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate

methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate (PubChem CID 170884527) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
PubChem CID170884527
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
SMILESCCCN1CCc2cc(CC(N)C(=O)OC)ccc21
InChIInChI=1S/C15H22N2O2/c1-3-7-17-8-6-12-9-11(4-5-14(12)17)10-13(16)15(18)19-2/h4-5,9,13H,3,6-8,10,16H2,1-2H3
InChIKeyIMHIKKIVQYLQNK-UHFFFAOYSA-N
XLogP1.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate 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

methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-propyl-2,3-dihydroindol-5-yl)propanoic acid
CID 170881630
2-(1-propyl-2,3-dihydroindol-5-yl)propanediamide
CID 22711549
2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
1-butyl-5-(2-nitropropyl)-2,3-dihydroindole
CID 118880559
3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
CID 121204216
(2S)-2-amino-2-(1-ethyl-2,3-dihydroindol-5-yl)acetic acid
CID 66512358
2-amino-3-(1-methyl-2,3-dihydroindol-6-yl)propanoic acid
CID 82392679
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
methyl 2-amino-3-(3-butan-2-yl-4-morpholin-4-ylphenyl)propanoate
CID 170884279
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl (2R)-2-amino-3-(3-amino-4-chlorophenyl)propanoate
CID 171238207

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate (CID 170884527) is methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate is CCCN1CCc2cc(CC(N)C(=O)OC)ccc21.
What is the InChIKey of methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate?
The InChIKey is IMHIKKIVQYLQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-7-17-8-6-12-9-11(4-5-14(12)17)10-13(16)15(18)19-2/h4-5,9,13H,3,6-8,10,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate?
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate has a molecular weight of 262.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate is sourced from PubChem (CID 170884527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).