3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid

C18H23NO3 — CID 166264931

IUPAC3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC1CC(C(=O)O)C1
InChIInChI=1S/C18H23NO3/c20-17(19-11-13-8-16(9-13)18(21)22)10-12-5-6-14-3-1-2-4-15(14)7-12/h5-7,13,16H,1-4,8-11H2,(H,19,20)(H,21,22)
InChIKeyVBJCJSHZOKOEFN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.33
Rot. Bonds5

About 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid

3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 166264931) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID166264931
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccc2c(c1)CCCC2)NCC1CC(C(=O)O)C1
InChIInChI=1S/C18H23NO3/c20-17(19-11-13-8-16(9-13)18(21)22)10-12-5-6-14-3-1-2-4-15(14)7-12/h5-7,13,16H,1-4,8-11H2,(H,19,20)(H,21,22)
InChIKeyVBJCJSHZOKOEFN-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

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2-(2,3-dihydro-1H-inden-5-yl)-N-[(3-hydroxycyclopentyl)methyl]acetamide
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N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 95271990
2-(2,3-dihydro-1H-inden-5-yl)-N-prop-2-enylacetamide
CID 60645760
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 166264931) is 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(Cc1ccc2c(c1)CCCC2)NCC1CC(C(=O)O)C1.
What is the InChIKey of 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is VBJCJSHZOKOEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-11-13-8-16(9-13)18(21)22)10-12-5-6-14-3-1-2-4-15(14)7-12/h5-7,13,16H,1-4,8-11H2,(H,19,20)(H,21,22).
What are the key properties of 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid?
3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 166264931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).