2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid

C11H17NO3 — CID 63563829

IUPAC2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1=CCCCC1
InChIInChI=1S/C11H17NO3/c1-12(8-11(14)15)10(13)7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyURPUIUYNMWEJKB-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds4

About 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid

2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid (PubChem CID 63563829) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
PubChem CID63563829
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)CC1=CCCCC1
InChIInChI=1S/C11H17NO3/c1-12(8-11(14)15)10(13)7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,14,15)
InChIKeyURPUIUYNMWEJKB-UHFFFAOYSA-N
XLogP1.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[2-(cyclohexen-1-yl)acetyl]-methylamino]cyclohexyl]acetic acid
CID 65242966
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]benzoic acid
CID 104698196
2-(cyclohexen-1-yl)-N-methyl-N-(2-piperazin-1-ylethyl)acetamide
CID 63565557
3-[[2-(cyclohexen-1-yl)acetyl]-cyclopropylamino]propanoic acid
CID 63564407
2-(3-chloro-N-[2-(cyclohexen-1-yl)acetyl]anilino)acetic acid
CID 63565168
2-(cyclohexen-1-yl)-N-[1-(4-hydroxyphenyl)ethyl]-N-methylacetamide
CID 63564606
methyl 2-[[2-(cyclohexen-1-yl)acetyl]-propan-2-ylamino]acetate
CID 63565005
2-(cyclohexen-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 63564422
2-(cyclohexen-1-yl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-N-methylacetamide
CID 111912368
4-[[2-(cyclohexen-1-yl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66235736
2-(cyclohexen-1-yl)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79110452
2-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetic acid
CID 43239744

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid (CID 63563829) is 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid?
The InChIKey is URPUIUYNMWEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(8-11(14)15)10(13)7-9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid?
2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid has a molecular weight of 211.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)acetyl]-methylamino]acetic acid is sourced from PubChem (CID 63563829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).