5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid

C19H26ClNO5 — CID 67945499

IUPAC5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid
SMILESNC(CCCCO)C1(c2ccc(Cl)cc2)CCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H22ClNO.C4H4O4/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18;5-3(6)1-2-4(7)8/h5-8,14,18H,1-4,9-11,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyOOGGRGNVLAUTPN-BTJKTKAUSA-N
MW383.87 g/mol
LogP2.96
Rot. Bonds8

About 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid

5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid (PubChem CID 67945499) has the molecular formula C19H26ClNO5 and a molecular weight of 383.87 g/mol. Its IUPAC name is 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid.

Molecular Properties

Compound Name5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid
PubChem CID67945499
Molecular FormulaC19H26ClNO5
Molecular Weight383.87 g/mol
Exact Mass383.15
IUPAC Name5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid
SMILESNC(CCCCO)C1(c2ccc(Cl)cc2)CCC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H22ClNO.C4H4O4/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18;5-3(6)1-2-4(7)8/h5-8,14,18H,1-4,9-11,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyOOGGRGNVLAUTPN-BTJKTKAUSA-N
XLogP2.96
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol
CID 19823838
[(1R)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
CID 59908317
(2R)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
CID 59908318
[(1S)-1-[1-(4-chlorophenyl)cyclobutyl]-2-hydroxyethyl]azanium
CID 59908335
(2S)-2-amino-2-[1-(4-chlorophenyl)cyclobutyl]ethanol
CID 59908336
bis[5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentyl] (Z)-but-2-enedioate
CID 67945501
5-Amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;but-2-enedioic acid
CID 67945503
N-methyl-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxypentylamine maleate
CID 67945511
but-2-enedioic acid;1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
CID 67945513
1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol;(Z)-but-2-enedioic acid
CID 67945526
1-Amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-3-ol;but-2-enedioic acid
CID 67945530
(Z)-but-2-enedioic acid;4-[1-(4-chlorophenyl)cyclobutyl]-4-(dimethylamino)-2-methylbutan-2-ol
CID 67945534

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid?
The IUPAC name of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid (CID 67945499) is 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid.
What is the SMILES notation for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid?
The canonical SMILES for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid is NC(CCCCO)C1(c2ccc(Cl)cc2)CCC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid?
The InChIKey is OOGGRGNVLAUTPN-BTJKTKAUSA-N. The full InChI is InChI=1S/C15H22ClNO.C4H4O4/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18;5-3(6)1-2-4(7)8/h5-8,14,18H,1-4,9-11,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid?
5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid has a molecular weight of 383.87 g/mol, XLogP of 2.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol;(Z)-but-2-enedioic acid is sourced from PubChem (CID 67945499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).