1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

C16H27NO4 — CID 103162109

IUPAC1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCOC1CC(CC(=O)NCC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H27NO4/c1-2-21-13-8-12(9-13)10-14(18)17-11-16(15(19)20)6-4-3-5-7-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyFUCUGKLIXBCCPK-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.34
Rot. Bonds7

About 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 103162109) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID103162109
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCOC1CC(CC(=O)NCC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C16H27NO4/c1-2-21-13-8-12(9-13)10-14(18)17-11-16(15(19)20)6-4-3-5-7-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20)
InChIKeyFUCUGKLIXBCCPK-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166823
2-(3-ethoxycyclobutyl)-N-[1-(hydroxymethyl)cyclobutyl]acetamide
CID 103164769
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512
1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433603
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[(3-methylsulfanylpropanoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443463
1-[[(2-piperidin-4-yloxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436411
1-[(3-methoxypropanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362446
N-[(4-chlorocyclohexyl)methyl]-2-(3-ethoxycyclobutyl)acetamide
CID 114147988

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 103162109) is 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is CCOC1CC(CC(=O)NCC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FUCUGKLIXBCCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-21-13-8-12(9-13)10-14(18)17-11-16(15(19)20)6-4-3-5-7-16/h12-13H,2-11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103162109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).