2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

C16H21NO3 — CID 79247936

IUPAC2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCOc1ccc2c(c1)C(N(CC(=O)O)C1CC1)CCC2
InChIInChI=1S/C16H21NO3/c1-20-13-8-5-11-3-2-4-15(14(11)9-13)17(10-16(18)19)12-6-7-12/h5,8-9,12,15H,2-4,6-7,10H2,1H3,(H,18,19)
InChIKeyUWEZECRMWBAJDK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.62
Rot. Bonds5

About 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid

2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (PubChem CID 79247936) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
PubChem CID79247936
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
SMILESCOc1ccc2c(c1)C(N(CC(=O)O)C1CC1)CCC2
InChIInChI=1S/C16H21NO3/c1-20-13-8-5-11-3-2-4-15(14(11)9-13)17(10-16(18)19)12-6-7-12/h5,8-9,12,15H,2-4,6-7,10H2,1H3,(H,18,19)
InChIKeyUWEZECRMWBAJDK-UHFFFAOYSA-N
XLogP2.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid
CID 79248400
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
2-[ethyl-(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetic acid
CID 79367822
3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)-methylamino]-2-methylpropanoic acid
CID 79368771
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-enylamino]acetic acid
CID 79286200
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-prop-2-ynylamino]acetic acid
CID 79287526
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 82079561
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
2-fluoro-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 81357749
N-ethyl-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-3-amine
CID 79374703
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 15720552
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid (CID 79247936) is 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is COc1ccc2c(c1)C(N(CC(=O)O)C1CC1)CCC2.
What is the InChIKey of 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
The InChIKey is UWEZECRMWBAJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-13-8-5-11-3-2-4-15(14(11)9-13)17(10-16(18)19)12-6-7-12/h5,8-9,12,15H,2-4,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid?
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 79247936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).