2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid

C13H17NO3 — CID 83911976

IUPAC2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
SMILESCOc1ccc2c(c1)CCC2(CN)CC(=O)O
InChIInChI=1S/C13H17NO3/c1-17-10-2-3-11-9(6-10)4-5-13(11,8-14)7-12(15)16/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyHXULDDPDQCDAJI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.31
Rot. Bonds4

About 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid

2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid (PubChem CID 83911976) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
PubChem CID83911976
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid
SMILESCOc1ccc2c(c1)CCC2(CN)CC(=O)O
InChIInChI=1S/C13H17NO3/c1-17-10-2-3-11-9(6-10)4-5-13(11,8-14)7-12(15)16/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyHXULDDPDQCDAJI-UHFFFAOYSA-N
XLogP1.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
ethyl 2-(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)butanoate
CID 62394893
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760
2-[[1-(aminomethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]oxy]ethanol
CID 103376928
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
2-(2-chloro-1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 143390413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid (CID 83911976) is 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid is COc1ccc2c(c1)CCC2(CN)CC(=O)O.
What is the InChIKey of 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid?
The InChIKey is HXULDDPDQCDAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-10-2-3-11-9(6-10)4-5-13(11,8-14)7-12(15)16/h2-3,6H,4-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid?
2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-5-methoxy-2,3-dihydroinden-1-yl]acetic acid is sourced from PubChem (CID 83911976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).