5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid

C15H19NO3 — CID 55155028

IUPAC5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC1Cc2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(7-15(18)19)6-14(17)16-9-12-8-11-4-2-3-5-13(11)12/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMJAVBZYEMVTOOU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds6

About 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid

5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 55155028) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
PubChem CID55155028
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCC1Cc2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(7-15(18)19)6-14(17)16-9-12-8-11-4-2-3-5-13(11)12/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMJAVBZYEMVTOOU-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(propan-2-ylamino)propanamide
CID 60852367
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanoic acid
CID 83194092
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-pentan-3-ylpropanamide
CID 66396391
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanediamide
CID 54928768
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-phenylpropanamide
CID 66395417
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 87046956

Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid (CID 55155028) is 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCC1Cc2ccccc21.
What is the InChIKey of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is MJAVBZYEMVTOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(7-15(18)19)6-14(17)16-9-12-8-11-4-2-3-5-13(11)12/h2-5,10,12H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid?
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55155028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).