2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid

C16H25NO4 — CID 119248477

IUPAC2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CC2C2CCCCC2)CCO1
InChIInChI=1S/C16H25NO4/c18-15(19)8-12-10-17(6-7-21-12)16(20)14-9-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,18,19)
InChIKeyIFWUIMCWRGINJM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid

2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid (PubChem CID 119248477) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
PubChem CID119248477
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)C2CC2C2CCCCC2)CCO1
InChIInChI=1S/C16H25NO4/c18-15(19)8-12-10-17(6-7-21-12)16(20)14-9-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,18,19)
InChIKeyIFWUIMCWRGINJM-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 120527755
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-2-yl]acetic acid
CID 102893299
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
2-[4-(3-methyloxane-4-carbonyl)morpholin-2-yl]acetic acid
CID 114240971
2-[(2S)-4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 125119114
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[4-[cyclohexyl(ethyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433858
2-[4-[(3R)-piperidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 81134829
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid (CID 119248477) is 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)C2CC2C2CCCCC2)CCO1.
What is the InChIKey of 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid?
The InChIKey is IFWUIMCWRGINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-15(19)8-12-10-17(6-7-21-12)16(20)14-9-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,18,19).
What are the key properties of 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid?
2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclohexylcyclopropanecarbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).