2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid

C13H21NO2 — CID 141026926

IUPAC2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid
SMILESC#CCN(C)C[C@@H]1CCC[C@@H](CC(=O)O)C1
InChIInChI=1S/C13H21NO2/c1-3-7-14(2)10-12-6-4-5-11(8-12)9-13(15)16/h1,11-12H,4-10H2,2H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyMUDZVNOAHNILCW-VXGBXAGGSA-N
MW223.32 g/mol
LogP1.83
Rot. Bonds5

About 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid

2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 141026926) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID141026926
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid
SMILESC#CCN(C)C[C@@H]1CCC[C@@H](CC(=O)O)C1
InChIInChI=1S/C13H21NO2/c1-3-7-14(2)10-12-6-4-5-11(8-12)9-13(15)16/h1,11-12H,4-10H2,2H3,(H,15,16)/t11-,12-/m1/s1
InChIKeyMUDZVNOAHNILCW-VXGBXAGGSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.83
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

N-(cyclobutylmethyl)-N-methylprop-2-yn-1-amine
CID 62859751
2-[3-(2-aminoethyl)cyclohexyl]acetic acid
CID 68626637
2-[cycloheptylmethyl(prop-2-ynyl)amino]acetic acid
CID 79287703
CID 144774628
CID 144774628
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
CID 144774659
CID 144774659
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
2-[3-(difluoromethoxy)cyclohexyl]acetic acid
CID 84722601
2-[3-(hydroxymethyl)cyclopentyl]acetic acid
CID 105430907
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
2-[(3-methylcyclohexyl)-prop-2-ynylamino]acetic acid
CID 79284759
2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79283995

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid (CID 141026926) is 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid is C#CCN(C)C[C@@H]1CCC[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is MUDZVNOAHNILCW-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-7-14(2)10-12-6-4-5-11(8-12)9-13(15)16/h1,11-12H,4-10H2,2H3,(H,15,16)/t11-,12-/m1/s1.
What are the key properties of 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid?
2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 223.32 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3R)-3-[[methyl(prop-2-ynyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 141026926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).