2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid

C15H25NO4 — CID 65237939

IUPAC2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESCN(C(=O)CC1CCCO1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO4/c1-16(13(17)10-12-6-5-9-20-12)15(11-14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyQAERHQXHPQQBRQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 65237939) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
PubChem CID65237939
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESCN(C(=O)CC1CCCO1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H25NO4/c1-16(13(17)10-12-6-5-9-20-12)15(11-14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19)
InChIKeyQAERHQXHPQQBRQ-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-[methyl-[(3S)-oxolane-3-carbonyl]amino]cyclohexyl]acetate
CID 95776438
2-[1-[3-(2,2-Difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid
CID 103206066
Ethyl 2-[1-[methyl(oxolane-3-carbonyl)amino]cyclohexyl]acetate
CID 72127090
3-[Tert-butyl-[3-(oxolan-2-yl)propanoyl]amino]propanoic acid
CID 60825759
3-[Tert-butyl-[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 65156841
2-[1-[[2-(Oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
CID 65157048
2-[1-(2,4,5-Trimethyloxolane-3-carbonyl)piperidin-2-yl]acetic acid
CID 65157278
2-[1-[Methyl(oxane-3-carbonyl)amino]cyclohexyl]acetic acid
CID 65237889
2-[1-[Methyl(oxane-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65238139
2-[1-[1,4-Dioxane-2-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 65238238
2-[1-[(4-Ethoxy-4-oxobutanoyl)-methylamino]cyclohexyl]acetic acid
CID 65238289
2-[1-[Methyl(oxolane-2-carbonyl)amino]cyclohexyl]acetic acid
CID 65238441

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid (CID 65237939) is 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid is CN(C(=O)CC1CCCO1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is QAERHQXHPQQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-16(13(17)10-12-6-5-9-20-12)15(11-14(18)19)7-3-2-4-8-15/h12H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65237939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).