2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid

C11H19NO3 — CID 70185847

IUPAC2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
SMILESCC(=O)C(N)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(13)10(12)11(7-9(14)15)5-3-2-4-6-11/h10H,2-7,12H2,1H3,(H,14,15)
InChIKeySTSQETCDEHQJOW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid

2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid (PubChem CID 70185847) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
PubChem CID70185847
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid
SMILESCC(=O)C(N)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(13)10(12)11(7-9(14)15)5-3-2-4-6-11/h10H,2-7,12H2,1H3,(H,14,15)
InChIKeySTSQETCDEHQJOW-UHFFFAOYSA-N
XLogP1.33
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid (CID 70185847) is 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid is CC(=O)C(N)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid?
The InChIKey is STSQETCDEHQJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)10(12)11(7-9(14)15)5-3-2-4-6-11/h10H,2-7,12H2,1H3,(H,14,15).
What are the key properties of 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid?
2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-amino-2-oxopropyl)cyclohexyl]acetic acid is sourced from PubChem (CID 70185847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).