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

C14H23NO4 — CID 65157048

IUPAC2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C14H23NO4/c16-12(9-11-5-4-8-19-11)15-14(10-13(17)18)6-2-1-3-7-14/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyBOSVLSXVHRRPKK-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds5

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

2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid (PubChem CID 65157048) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
PubChem CID65157048
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C14H23NO4/c16-12(9-11-5-4-8-19-11)15-14(10-13(17)18)6-2-1-3-7-14/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyBOSVLSXVHRRPKK-UHFFFAOYSA-N
XLogP1.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid (CID 65157048) is 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)CC2CCCO2)CCCCC1.
What is the InChIKey of 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is BOSVLSXVHRRPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(9-11-5-4-8-19-11)15-14(10-13(17)18)6-2-1-3-7-14/h11H,1-10H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65157048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).