3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid

C13H17NO3 — CID 121204216

IUPAC3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
SMILESCOCc1ccc2c(c1)CCN2CCC(=O)O
InChIInChI=1S/C13H17NO3/c1-17-9-10-2-3-12-11(8-10)4-6-14(12)7-5-13(15)16/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeySIRDSIKLJRURQC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.67
Rot. Bonds5

About 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid

3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid (PubChem CID 121204216) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
PubChem CID121204216
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
SMILESCOCc1ccc2c(c1)CCN2CCC(=O)O
InChIInChI=1S/C13H17NO3/c1-17-9-10-2-3-12-11(8-10)4-6-14(12)7-5-13(15)16/h2-3,8H,4-7,9H2,1H3,(H,15,16)
InChIKeySIRDSIKLJRURQC-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic 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

3-[6-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid
CID 121204257
methyl 2-amino-3-(1-propyl-2,3-dihydroindol-5-yl)propanoate
CID 170884527
benzyl 3-(5-formyl-2,3-dihydroindol-1-yl)propanoate
CID 87120677
4-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-6-yl]butanoic acid
CID 82260139
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528
(2R)-2-methyl-3-[1-(3-phenylmethoxypropyl)-2,3-dihydroindol-5-yl]propanoic acid
CID 118103243
3-[ethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]propanoic acid
CID 65062421
2-[2-methoxyethyl-[(1-methyl-2,3-dihydroindol-5-yl)methyl]amino]acetic acid
CID 65067451
3-(7-cyano-5-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-1-yl)propanoic acid
CID 84641869
3-[(1-methyl-2,3-dihydroindol-5-yl)methyl-propan-2-ylamino]propanoic acid
CID 65057405
2-chloro-1-[6-(methoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 166430894
3-(7-bromo-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepin-5-yl)propanoic acid
CID 84646211

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid (CID 121204216) is 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid is COCc1ccc2c(c1)CCN2CCC(=O)O.
What is the InChIKey of 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid?
The InChIKey is SIRDSIKLJRURQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-9-10-2-3-12-11(8-10)4-6-14(12)7-5-13(15)16/h2-3,8H,4-7,9H2,1H3,(H,15,16).
What are the key properties of 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid?
3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(methoxymethyl)-2,3-dihydroindol-1-yl]propanoic acid is sourced from PubChem (CID 121204216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).