2-(2-amino-N-cyclohexylanilino)acetic acid

C14H20N2O2 — CID 63118711

IUPAC2-(2-amino-N-cyclohexylanilino)acetic acid
SMILESNc1ccccc1N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(10-14(17)18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,15H2,(H,17,18)
InChIKeyGIMYMXICFZVDRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-amino-N-cyclohexylanilino)acetic acid

2-(2-amino-N-cyclohexylanilino)acetic acid (PubChem CID 63118711) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-amino-N-cyclohexylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-cyclohexylanilino)acetic acid
PubChem CID63118711
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-amino-N-cyclohexylanilino)acetic acid
SMILESNc1ccccc1N(CC(=O)O)C1CCCCC1
InChIInChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(10-14(17)18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,15H2,(H,17,18)
InChIKeyGIMYMXICFZVDRK-UHFFFAOYSA-N
XLogP2.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253
3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid
CID 63861972
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
CID 60838670
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[cyclopentyl(pyridin-3-yl)amino]acetic acid
CID 83822381
2-(2-aminophenyl)-N-cyclohexyl-N-methylacetamide
CID 16793266
2-N-cyclopentyl-2-N-methylbenzene-1,2-diamine
CID 43266943
2-(2-amino-N-(1-methylcyclohexanecarbonyl)anilino)acetic acid
CID 106826093
2-[2-amino-N-(methoxycarbonylsulfamoyl)anilino]acetic acid
CID 114461718
2-(5-bromo-2-carbamoyl-N-cyclopentylanilino)acetic acid
CID 114900912
2-(3-chloro-N-cyclopentylanilino)acetic acid
CID 60833680
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclohexylanilino)acetic acid?
The IUPAC name of 2-(2-amino-N-cyclohexylanilino)acetic acid (CID 63118711) is 2-(2-amino-N-cyclohexylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-cyclohexylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-cyclohexylanilino)acetic acid is Nc1ccccc1N(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-(2-amino-N-cyclohexylanilino)acetic acid?
The InChIKey is GIMYMXICFZVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-8-4-5-9-13(12)16(10-14(17)18)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,15H2,(H,17,18).
What are the key properties of 2-(2-amino-N-cyclohexylanilino)acetic acid?
2-(2-amino-N-cyclohexylanilino)acetic acid has a molecular weight of 248.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-cyclohexylanilino)acetic acid is sourced from PubChem (CID 63118711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).