4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid

C14H19NO4 — CID 150149964

IUPAC4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)C=CC(NC2CCCC2)=C(C(=O)O)C1
InChIInChI=1S/C14H19NO4/c1-14(13(18)19)7-6-11(10(8-14)12(16)17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFFAUUAJLWFDNSV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.91
Rot. Bonds4

About 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid

4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (PubChem CID 150149964) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
PubChem CID150149964
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)C=CC(NC2CCCC2)=C(C(=O)O)C1
InChIInChI=1S/C14H19NO4/c1-14(13(18)19)7-6-11(10(8-14)12(16)17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFFAUUAJLWFDNSV-UHFFFAOYSA-N
XLogP1.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The IUPAC name of 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid (CID 150149964) is 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is CC1(C(=O)O)C=CC(NC2CCCC2)=C(C(=O)O)C1.
What is the InChIKey of 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
The InChIKey is FFAUUAJLWFDNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(13(18)19)7-6-11(10(8-14)12(16)17)15-9-4-2-3-5-9/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid?
4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid is sourced from PubChem (CID 150149964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).