2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid

C12H19NO2 — CID 79284759

IUPAC2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C1CCCC(C)C1
InChIInChI=1S/C12H19NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h1,10-11H,4-9H2,2H3,(H,14,15)
InChIKeyJGENVISFMIQBBM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds4

About 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid

2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid (PubChem CID 79284759) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
PubChem CID79284759
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)C1CCCC(C)C1
InChIInChI=1S/C12H19NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h1,10-11H,4-9H2,2H3,(H,14,15)
InChIKeyJGENVISFMIQBBM-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-ynyl-(3,3,5-trimethylcyclohexyl)amino]acetic acid
CID 79283565
2-[(3-methylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257797
2-[(1-ethylazepan-4-yl)-prop-2-ynylamino]acetic acid
CID 79284336
2-[(1-methylsulfonylpiperidin-4-yl)-prop-2-ynylamino]acetic acid
CID 114239212
N-ethyl-3-methyl-N-prop-2-ynylcyclopentan-1-amine
CID 131175951
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[cyanomethyl(cyclopentyl)amino]acetic acid
CID 60833018
2-[cyclopropylmethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565060
2-[1-azabicyclo[2.2.2]octan-3-yl(prop-2-ynyl)amino]acetic acid
CID 79283426
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995
2-[cyclopropylmethyl-(3,5-dimethylcyclohexyl)amino]acetic acid
CID 64728458
2-[2-methoxyethyl-(3-methylcyclobutyl)amino]acetic acid
CID 103565164

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid (CID 79284759) is 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)C1CCCC(C)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid?
The InChIKey is JGENVISFMIQBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-7-13(9-12(14)15)11-6-4-5-10(2)8-11/h1,10-11H,4-9H2,2H3,(H,14,15).
What are the key properties of 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid?
2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid has a molecular weight of 209.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79284759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).