2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid

C22H23NO2 — CID 67906959

IUPAC2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid
SMILESNC(CCCCC=C1c2ccccc2C=Cc2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO2/c23-21(22(24)25)13-3-1-2-12-20-18-10-6-4-8-16(18)14-15-17-9-5-7-11-19(17)20/h4-12,14-15,21H,1-3,13,23H2,(H,24,25)
InChIKeyNVLPVZJHMFLLOD-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.57
Rot. Bonds6

About 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid

2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid (PubChem CID 67906959) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid.

Molecular Properties

Compound Name2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid
PubChem CID67906959
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid
SMILESNC(CCCCC=C1c2ccccc2C=Cc2ccccc21)C(=O)O
InChIInChI=1S/C22H23NO2/c23-21(22(24)25)13-3-1-2-12-20-18-10-6-4-8-16(18)14-15-17-9-5-7-11-19(17)20/h4-12,14-15,21H,1-3,13,23H2,(H,24,25)
InChIKeyNVLPVZJHMFLLOD-UHFFFAOYSA-N
XLogP4.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-7-phenylheptanoic acid
CID 85132413
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865
(2S)-2,6-diamino-7-(9H-fluoren-9-yl)-7-oxoheptanoic acid
CID 154512330
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
(2R)-2-amino-6-oxo-6-phenylhexanoic acid
CID 106702793
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2,6-diaminohexanoic acid
CID 157149323
(2R)-2-amino-7-(4-methylphenyl)heptanoic acid
CID 155670069
2,6-diaminoheptanedioic acid
CID 865
2,6-diaminohexanoic acid;3-phenylpropanamide
CID 174839218

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid?
The IUPAC name of 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid (CID 67906959) is 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid.
What is the SMILES notation for 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid?
The canonical SMILES for 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid is NC(CCCCC=C1c2ccccc2C=Cc2ccccc21)C(=O)O.
What is the InChIKey of 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid?
The InChIKey is NVLPVZJHMFLLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c23-21(22(24)25)13-3-1-2-12-20-18-10-6-4-8-16(18)14-15-17-9-5-7-11-19(17)20/h4-12,14-15,21H,1-3,13,23H2,(H,24,25).
What are the key properties of 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid?
2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid has a molecular weight of 333.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)heptanoic acid is sourced from PubChem (CID 67906959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).