2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid

C14H19NO3 — CID 114992564

IUPAC2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOCCCNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-18-8-4-7-15-14(13(16)17)9-11-5-2-3-6-12(11)10-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyFHUZFDRWPFWLLN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.23
Rot. Bonds6

About 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid

2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 114992564) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID114992564
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESCOCCCNC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C14H19NO3/c1-18-8-4-7-15-14(13(16)17)9-11-5-2-3-6-12(11)10-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17)
InChIKeyFHUZFDRWPFWLLN-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxypropan-2-ylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992549
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
2-[[2-(methylamino)-2-oxoethyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989844
methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
2-(4-methoxybutyl)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 104650574
(3-methoxypropylamino) phenyl carbonate
CID 142793744
methyl 2-(2,2,2-trifluoroethylamino)-1,3-dihydroindene-2-carboxylate
CID 54892948
2-[(2-methylsulfonylphenyl)methylamino]-1,3-dihydroindene-2-carboxylic acid
CID 141221672
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
3-methoxy-N-phenylmethoxypropan-1-amine
CID 64974237
phenyl N-(3-methoxypropyl)carbamate
CID 60636020

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid (CID 114992564) is 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid is COCCCNC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is FHUZFDRWPFWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-8-4-7-15-14(13(16)17)9-11-5-2-3-6-12(11)10-14/h2-3,5-6,15H,4,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 114992564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).