2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid

C15H22N2O3 — CID 65238494

IUPAC2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1cccn1C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-16-10-6-7-12(16)14(20)17(2)15(11-13(18)19)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyVDJVCSDKEOCUGN-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.27
Rot. Bonds4

About 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65238494) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65238494
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)c1cccn1C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H22N2O3/c1-16-10-6-7-12(16)14(20)17(2)15(11-13(18)19)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyVDJVCSDKEOCUGN-UHFFFAOYSA-N
XLogP2.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid (CID 65238494) is 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)c1cccn1C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is VDJVCSDKEOCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-10-6-7-12(16)14(20)17(2)15(11-13(18)19)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65238494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).