3-(4-acetamidocyclohexyl)propanoic acid

C11H19NO3 — CID 18946163

IUPAC3-(4-acetamidocyclohexyl)propanoic acid
SMILESCC(=O)NC1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyQLCDVALTWQKHSU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-acetamidocyclohexyl)propanoic acid

3-(4-acetamidocyclohexyl)propanoic acid (PubChem CID 18946163) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(4-acetamidocyclohexyl)propanoic acid.

Molecular Properties

Compound Name3-(4-acetamidocyclohexyl)propanoic acid
PubChem CID18946163
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(4-acetamidocyclohexyl)propanoic acid
SMILESCC(=O)NC1CCC(CCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyQLCDVALTWQKHSU-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 3-(4-acetamidocyclohexyl)propanoic acid?
The IUPAC name of 3-(4-acetamidocyclohexyl)propanoic acid (CID 18946163) is 3-(4-acetamidocyclohexyl)propanoic acid.
What is the SMILES notation for 3-(4-acetamidocyclohexyl)propanoic acid?
The canonical SMILES for 3-(4-acetamidocyclohexyl)propanoic acid is CC(=O)NC1CCC(CCC(=O)O)CC1.
What is the InChIKey of 3-(4-acetamidocyclohexyl)propanoic acid?
The InChIKey is QLCDVALTWQKHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)12-10-5-2-9(3-6-10)4-7-11(14)15/h9-10H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(4-acetamidocyclohexyl)propanoic acid?
3-(4-acetamidocyclohexyl)propanoic 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 3-(4-acetamidocyclohexyl)propanoic acid is sourced from PubChem (CID 18946163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).