2-[1-(acetamidomethyl)cyclohexyl]acetic acid

C11H19NO3 — CID 5248228

IUPAC2-[1-(acetamidomethyl)cyclohexyl]acetic acid
SMILESCC(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-8-11(7-10(14)15)5-3-2-4-6-11/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyFNUJAQMRFKOBKB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About 2-[1-(acetamidomethyl)cyclohexyl]acetic acid

2-[1-(acetamidomethyl)cyclohexyl]acetic acid (PubChem CID 5248228) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(acetamidomethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(acetamidomethyl)cyclohexyl]acetic acid
PubChem CID5248228
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(acetamidomethyl)cyclohexyl]acetic acid
SMILESCC(=O)NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-8-11(7-10(14)15)5-3-2-4-6-11/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyFNUJAQMRFKOBKB-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(acetamidomethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(acetamidomethyl)cyclohexyl]acetic acid (CID 5248228) is 2-[1-(acetamidomethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(acetamidomethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(acetamidomethyl)cyclohexyl]acetic acid is CC(=O)NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(acetamidomethyl)cyclohexyl]acetic acid?
The InChIKey is FNUJAQMRFKOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-8-11(7-10(14)15)5-3-2-4-6-11/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-(acetamidomethyl)cyclohexyl]acetic acid?
2-[1-(acetamidomethyl)cyclohexyl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(acetamidomethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 5248228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).