2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid

C11H19NO2 — CID 103276172

IUPAC2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
SMILESCC1=CC(C)CC(CNCC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-8-3-9(2)5-10(4-8)6-12-7-11(13)14/h3,8,10,12H,4-7H2,1-2H3,(H,13,14)
InChIKeyABVPDCXJWRNIOK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.65
Rot. Bonds4

About 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid (PubChem CID 103276172) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
PubChem CID103276172
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
SMILESCC1=CC(C)CC(CNCC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-8-3-9(2)5-10(4-8)6-12-7-11(13)14/h3,8,10,12H,4-7H2,1-2H3,(H,13,14)
InChIKeyABVPDCXJWRNIOK-UHFFFAOYSA-N
XLogP1.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 103277041
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
CID 103277030
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103277023

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid?
The IUPAC name of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid (CID 103276172) is 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid is CC1=CC(C)CC(CNCC(=O)O)C1.
What is the InChIKey of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid?
The InChIKey is ABVPDCXJWRNIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-3-9(2)5-10(4-8)6-12-7-11(13)14/h3,8,10,12H,4-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid?
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid is sourced from PubChem (CID 103276172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).