2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C12H18N4O3 — CID 113291650

IUPAC2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Cn1ccnn1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9-4-2-3-5-12(9,11(18)19)14-10(17)8-16-7-6-13-15-16/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyMOGYBDIZXHKLJR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds4

About 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid

2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 113291650) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID113291650
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Cn1ccnn1)C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9-4-2-3-5-12(9,11(18)19)14-10(17)8-16-7-6-13-15-16/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,18,19)
InChIKeyMOGYBDIZXHKLJR-UHFFFAOYSA-N
XLogP0.43
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
N-[1-(aminomethyl)cyclopentyl]-2-(triazol-1-yl)acetamide
CID 81478484
N-[1-(hydroxymethyl)cyclopropyl]-2-(triazol-1-yl)acetamide
CID 115877790
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
2-methyl-1-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 61293400
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
1-[[2-[acetyl(methyl)amino]acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294871
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 113291650) is 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)Cn1ccnn1)C(=O)O.
What is the InChIKey of 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MOGYBDIZXHKLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-4-2-3-5-12(9,11(18)19)14-10(17)8-16-7-6-13-15-16/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(triazol-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113291650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).