2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid

C18H32F2N2O2 — CID 11279441

IUPAC2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid
SMILESCCCCCCCC1CCC/C1=N\CCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C18H32F2N2O2/c1-2-3-4-5-6-9-14-10-7-11-15(14)22-13-8-12-18(21,16(19)20)17(23)24/h14,16H,2-13,21H2,1H3,(H,23,24)/b22-15+
InChIKeyLSHKQPCIGKVUKW-PXLXIMEGSA-N
MW346.46 g/mol
LogP4.42
Rot. Bonds12

About 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid

2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid (PubChem CID 11279441) has the molecular formula C18H32F2N2O2 and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid
PubChem CID11279441
Molecular FormulaC18H32F2N2O2
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid
SMILESCCCCCCCC1CCC/C1=N\CCCC(N)(C(=O)O)C(F)F
InChIInChI=1S/C18H32F2N2O2/c1-2-3-4-5-6-9-14-10-7-11-15(14)22-13-8-12-18(21,16(19)20)17(23)24/h14,16H,2-13,21H2,1H3,(H,23,24)/b22-15+
InChIKeyLSHKQPCIGKVUKW-PXLXIMEGSA-N
XLogP4.42
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(difluoromethyl)-5-(1,1,1-trifluorooctadecan-2-ylideneamino)pentanoic Acid
CID 11155996
2-Amino-2-(difluoromethyl)-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pentanoic acid
CID 11336061
2-Amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid;2-(3-methylbutyl)cyclohexan-1-one
CID 69589179

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid?
The IUPAC name of 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid (CID 11279441) is 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid is CCCCCCCC1CCC/C1=N\CCCC(N)(C(=O)O)C(F)F.
What is the InChIKey of 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid?
The InChIKey is LSHKQPCIGKVUKW-PXLXIMEGSA-N. The full InChI is InChI=1S/C18H32F2N2O2/c1-2-3-4-5-6-9-14-10-7-11-15(14)22-13-8-12-18(21,16(19)20)17(23)24/h14,16H,2-13,21H2,1H3,(H,23,24)/b22-15+.
What are the key properties of 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid?
2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid has a molecular weight of 346.46 g/mol, XLogP of 4.42, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid is sourced from PubChem (CID 11279441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).