4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C14H18N2O4 — CID 145497572

IUPAC4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN(C(=O)O)c2ccccn2)CC1
InChIInChI=1S/C14H18N2O4/c17-13(18)11-6-4-10(5-7-11)9-16(14(19)20)12-3-1-2-8-15-12/h1-3,8,10-11H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyRNFVSBWWWRVPLF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.46
Rot. Bonds4

About 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 145497572) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID145497572
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN(C(=O)O)c2ccccn2)CC1
InChIInChI=1S/C14H18N2O4/c17-13(18)11-6-4-10(5-7-11)9-16(14(19)20)12-3-1-2-8-15-12/h1-3,8,10-11H,4-7,9H2,(H,17,18)(H,19,20)
InChIKeyRNFVSBWWWRVPLF-UHFFFAOYSA-N
XLogP2.46
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 145497572) is 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CN(C(=O)O)c2ccccn2)CC1.
What is the InChIKey of 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RNFVSBWWWRVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(18)11-6-4-10(5-7-11)9-16(14(19)20)12-3-1-2-8-15-12/h1-3,8,10-11H,4-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[carboxy(pyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 145497572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).