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

C10H17NO3 — CID 142143669

IUPAC2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid
SMILESO=NCCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c12-9(13)8-10(6-7-11-14)4-2-1-3-5-10/h1-8H2,(H,12,13)
InChIKeyRIZJRKJSBKEJAK-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.57
Rot. Bonds5

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

2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid (PubChem CID 142143669) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid
PubChem CID142143669
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid
SMILESO=NCCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C10H17NO3/c12-9(13)8-10(6-7-11-14)4-2-1-3-5-10/h1-8H2,(H,12,13)
InChIKeyRIZJRKJSBKEJAK-UHFFFAOYSA-N
XLogP2.57
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid (CID 142143669) is 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid is O=NCCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid?
The InChIKey is RIZJRKJSBKEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-9(13)8-10(6-7-11-14)4-2-1-3-5-10/h1-8H2,(H,12,13).
What are the key properties of 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid?
2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-nitrosoethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 142143669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).