2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid

C15H25NO4 — CID 119218188

IUPAC2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
SMILESCC1CCCCC1OCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H25NO4/c1-11-5-2-3-6-12(11)20-10-13(17)16-15(7-4-8-15)9-14(18)19/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPYTHDOVAFIYYMH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.10
Rot. Bonds6

About 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid (PubChem CID 119218188) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
PubChem CID119218188
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
SMILESCC1CCCCC1OCC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H25NO4/c1-11-5-2-3-6-12(11)20-10-13(17)16-15(7-4-8-15)9-14(18)19/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPYTHDOVAFIYYMH-UHFFFAOYSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]butanoic acid
CID 98851450
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
CID 119235360
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384
2-[1-[[2-(2-methoxyethoxy)acetyl]amino]cyclopentyl]acetic acid
CID 64673171
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995
2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79846049
2-[1-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 102962682
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclobutyl]acetic acid
CID 103555716
2-[1-[[2-(4-ethoxyphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217956

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid (CID 119218188) is 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid is CC1CCCCC1OCC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid?
The InChIKey is PYTHDOVAFIYYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-5-2-3-6-12(11)20-10-13(17)16-15(7-4-8-15)9-14(18)19/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119218188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).