2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid

C10H15NO3 — CID 24696987

IUPAC2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC=CCC1
InChIInChI=1S/C10H15NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyYPDQSIWHNGVVBU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.89
Rot. Bonds3

About 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid

2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid (PubChem CID 24696987) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
PubChem CID24696987
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC=CCC1
InChIInChI=1S/C10H15NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3,(H,12,13)
InChIKeyYPDQSIWHNGVVBU-UHFFFAOYSA-N
XLogP0.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid (CID 24696987) is 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid?
The InChIKey is YPDQSIWHNGVVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11(7-9(12)13)10(14)8-5-3-2-4-6-8/h2-3,8H,4-7H2,1H3,(H,12,13).
What are the key properties of 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid?
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid has a molecular weight of 197.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 24696987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).